Displaying publications 1 - 20 of 173 in total

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  1. Zeb A, Abbasi MA, Siddiqui SZ, Hassan M, Javed Q, Rafiq M, et al.
    Chem Biodivers, 2024 Feb 16.
    PMID: 38363553 DOI: 10.1002/cbdv.202400133
    In the aimed research study, a new series of N-(aryl)-3-[(4-phenyl-1-piperazinyl)methyl]benzamides was synthesized, which was envisaged as tyrosinase inhibitor. The structures of these newly designed molecules were verified by IR, 1H-NMR, 13C-NMR, EI-MS and CHN analysis data. These molecules were screened against tyrosinase and their inhibitory activity explored that these 3-substituted-benzamides exhibit good to excellent potential, comparative to the standard. The Kinetics mechanism was investigated through Lineweaver-Burk plots which depicted that molecules inhibited this enzyme in a competitive mode. Moreover, molecular docking was also performed to determine the binding interaction of all synthesized molecules (ligands) with the active site of tyrosinase enzyme and the results showed that most of the ligands exhibited efficient binding energy values. Therefore, it is anticipated that these molecules might serve as auspicious therapeutic scaffolds for treatment of the tyrosinase associated skin disorders.
  2. Yusuf J, Sapuan SM, Ansari MA, Siddiqui VU, Jamal T, Ilyas RA, et al.
    Int J Biol Macromol, 2024 Jan;255:128121.
    PMID: 37984579 DOI: 10.1016/j.ijbiomac.2023.128121
    Material is an inseparable entity for humans to serve different purposes. However, synthetic polymers represent a major category of anthropogenic pollutants with detrimental impacts on natural ecosystems. This escalating environmental issue is characterized by the accumulation of non-biodegradable plastic materials, which pose serious threats to the health of our planet's ecosystem. Cellulose is becoming a focal point for many researchers due to its high availability. It has been used to serve various purposes. Recent scientific advancements have unveiled innovative prospects for the utilization of nanocellulose within the area of advanced science. This comprehensive review investigates deeply into the field of nanocellulose, explaining the methodologies employed in separating nanocellulose from cellulose. It also explains upon two intricately examined applications that emphasize the pivotal role of nanocellulose in nanocomposites. The initial instance pertains to the automotive sector, encompassing cutting-edge applications in electric vehicle (EV) batteries, while the second exemplifies the use of nanocellulose in the field of biomedical applications like otorhinolaryngology, ophthalmology, and wound dressing. This review aims to provide comprehensive information starting from the definitions, identifying the sources of the nanocellulose and its extraction, and ending with the recent applications in the emerging field such as energy storage and biomedical applications.
  3. Ali S, Ullah W, Kamarulzaman AFS, Hassan M, Rauf M, Khattak MNK, et al.
    Fish Shellfish Immunol Rep, 2023 Dec 15;5:100115.
    PMID: 37771818 DOI: 10.1016/j.fsirep.2023.100115
    We report the proteomic profile of Epidermal Mucus (EM) from Labeo rohita and identified the differentially abundant proteins (DAPs) against Aeromonas hydrophila infection through label-free liquid chromatography-mass spectrometry (LC-MS/MS). Using discovery-based proteomics, a total of 2039 proteins were quantified in nontreated group and 1,328 proteins in the treated group, of which 114 were identified as DAPs in both the groups. Of the 114 DAPs, 68 proteins were upregulated and 46 proteins were downregulated in the treated group compared to nontreated group. Functional annotations of these DAPs shows their association with metabolism, cellular process, molecular process, cytoskeletal, stress, and particularly immune system. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis and Fisher's exact test between the two groups shows that most of the proteins were immune-related, which were significantly associated with the proteasome, phagosome, and Salmonella infection pathways. Overall, this study shows a basic and primary way for further functional research of the involvement of vitellogenin 2, alpha-2-macroglobulin-like protein, toll-like receptors (TLR-13), calpain, keratin-like proteins, and heat shock proteins against bacterial infection. Nonetheless, this first-ever comprehensive report of a proteomic sketch of EM from L. rohita after A. hydrophila infection provides systematic protein information to broadly understand the biological role of fish EM against bacterial infection.
  4. Ali S, Dawar FU, Ullah W, Hassan M, Ullah K, Zhao Z
    Fish Shellfish Immunol Rep, 2023 Dec 15;5:100122.
    PMID: 38023345 DOI: 10.1016/j.fsirep.2023.100122
    The skin mucus of fish is an important part of the innate immune system, which is poorly understood at the proteomic level. The study established a complete map of the proteins in the skin mucus of Ctenopharangdon idella (C. idella) and discussed the Differentially Expressed Proteins (DEPs) after Aeromonas hydrophila (A. hydrophila) infection. Using Label Free Liquid Chromatography-Mass Spectrometry (LC-MS/MS) analysis, a total of 126 proteins were identified as differentially expressed, 89 proteins of which were upregulated, and 37 proteins were downregulated. Functional annotations of DEPs showed that the upregulated proteins in the skin mucus of the treated group were mostly associated with complement system and cytoskeleton proteins, whereas downregulated proteins were associated with metabolism. The key upregulated immune proteins were transferrin variant C, lysozyme g, annexin A11, 26S proteasome non-ATPase regulatory subunit 8, hypothetical protein ROHU_000884, 60S ribosomal L7a, calpain-2 catalytic subunit-like protein, calpain-9-like protein, complement component C9, complement C3, cathepsin S, cathepsin Z, 14 kDa apolipo, heat shock protein and intelectin, whereas, leukocyte elastase inhibitor, annexin A11, C-factor-like protein, biotinidase isoform X1 and epidermal growth factor receptor substrate 15-like were the downregulated proteins. Moreover, we for the first-time report proteins such as coactosin, lamin-B2 and kelch 12, which were never reported in fish. Our study directly pointing out the possible immunological biomarkers in the skin mucus of C. idella after A. hydrophila treatment. Each of the protein we report in this study could be used as base to establish their mechanism of action during bacterial infection that may contribute to the strategies against bacterial prevention and control in fishes.
  5. Alimin AWF, Yusoff NAH, Kadriah IAK, Anshary H, Abdullah F, Jabir N, et al.
    Parasitol Res, 2023 Dec 14;123(1):49.
    PMID: 38095702 DOI: 10.1007/s00436-023-08067-z
    Parasitic dinoflagellates of the genus Hematodinium are known to infect various marine crustaceans worldwide, especially crabs and several species of shrimp and lobster. Some of these species are new host species and components of commercial fishery products. These parasitic species are predominantly found in the hemolymph of the host and cause pathological changes and functional damage to organs and tissues, leading to death. In recent years, these parasites have infected important commercially valuable species, particularly in European waters, US waters, Australian waters, and recently in Shandong Peninsula in China. These Hematodinium pathogens were also reported to affect wild shrimp in Chinese waters and in the English North Sea. These rapid spreads affect crustacean aquaculture industries, where they are indeed a significant threat to the sustainability of the aquaculture of important crustaceans. The fishery products industries are also under pressure from the invasion of this pathogen, as the crab meat produced has a bitter taste, which may reduce its marketability. In response to these threats, this review was aimed at providing a broader understanding of the development of parasite distribution and ecological aspects of Hematodinium. In addition, the interaction of these pathogens with their hosts, the environmental drivers of Hematodinium disease, and future research perspectives were discussed.
  6. Ali S, Shah SAUR, Rauf M, Hassan M, Ullah W, Dawar FU
    J Fish Dis, 2023 Nov;46(11):1225-1237.
    PMID: 37501533 DOI: 10.1111/jfd.13841
    This study explored the bactericidal role of the epidermal mucus (EM) of five freshwater Cyprinid fish species namely Ctenopharyngodon idella, Labeo rohita, Catla catla, Hypophthalmichthys molitrix, and Cirrhinus mrigala after treatment with Aeromonas hydrophila. Extracts of EM (crude and acidic) of each species showed bactericidal activity against various Gram -ve (Pseudomonas aeruginosa, Escherichia coli, Aeromonas hydrophila, Edwardsiella tarda, Salmonella enterica, Klebsiella pneumonia, Serratia marcescens, and Enterobacter cloacae) and Gram +ve (Bacillus wiedmannii and Staphylococcus aureus) bacteria compared with standard antibiotics (Fosfomycin). The zone of inhibition (ZOI) was measured in millimetres against antibiotics (Fosfomycin). Variations in bactericidal activity of EM were observed against bacteria from the same and different fish species. The acidic extract was more effective than the crude extract and showed significantly higher ZOI values against various bacteria and Fosfomycin antibiotics. This result shows that fish EM may perform an important role in fish defence against bacteria. Therefore, this study may hint towards the substitution of synthetic antibiotics with fish EM that may be used as a novel 'bactericidal' in aquaculture as well as in humans against bacterial infections.
  7. Abu Hassan MS, Elias NA, Hassan M, Rahmah S, Wan Ismail WI, Harun NA
    Heliyon, 2023 Nov;9(11):e21663.
    PMID: 37954386 DOI: 10.1016/j.heliyon.2023.e21663
    Gold nanoparticles (AuNPs) have emerged as a promising application in aquaculture. Their nano-sized dimensions, comparable to pathogens offer potential solutions for combating antibiotic resistance. In this study, AuNPs were synthesized by using polychaetes, Marphysa moribidii as the bio-reducing agent. Modifications were made to reduce agglomeration in green-synthesized AuNPs through ultrasonication. The antibacterial activities of AuNPs against V. parahaemolyticus were evaluated. The physicochemical characteristics of the green synthesized AuNPs were comprehensively investigated. The successful formation of AuNPs was confirmed by the appearance of a red ruby colour and the presence of surface Plasmon resonance (SPR) absorption peaks at 530 nm as observed from UV-vis spectroscopy. Scanning electron microscopy (SEM) revealed spherical-shaped AuNPs with some agglomerations. Transmission electron microscopy (TEM) showed particle size of AuNPs ranging from 10 nm to 60 nm, meanwhile dynamic light scattering (DLS) analysis indicated an average particle size of 24.36 nm. X-ray diffraction (XRD) analysis confirmed the high crystallinity of AuNPs, and no AuNPs were detected in the polychaetes extracts prior to synthesis. A brief ultrasonication significantly reduced the tendencies for AuNPs to coalesce. The green-synthesized AuNPs demonstrated a remarkable antibacterial efficacy against V. parahaemolyticus. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) tests revealed that a concentration of 0.3 g/ml of AuNPs effectively inhibited V. parahaemolyticus. These findings highlighted the potential of green-synthesized AuNPs as antibacterial agents for the prevention and management of AHPND in aquaculture.
  8. Abdelhafeez AM, Alomari FK, Al Ghashmari HM, Newera A, Alshehri HO, Alzulfi FM, et al.
    Cureus, 2023 Nov;15(11):e49367.
    PMID: 38146556 DOI: 10.7759/cureus.49367
    Objectives This study aimed to investigate the awareness and attitudes towards epidural analgesia (EA) among pregnant women in Taif City, Saudi Arabia. The rationale was to identify potential barriers to the acceptance and use of EA, which is an effective pain management option during labor. Methods We conducted a cross-sectional survey at a single healthcare center in Taif City. The participants, pregnant women visiting the center, were recruited using a convenience sampling method. Data collection was facilitated by a questionnaire distributed through a quick response (QR) code. The questionnaire assessed demographic information, awareness levels, previous exposure to EA, and personal attitudes toward its use during labor. Data analysis focused on quantifying the levels of awareness and identifying patterns in attitudes. Results The results revealed a low level of awareness about EA among the participants, with a significant proportion having never been exposed to it before the survey. Attitudes towards EA were varied, with some expressing openness to its use and others displaying apprehension or resistance, which appeared to be influenced by cultural perceptions and a lack of information. Conclusions The study highlighted a substantial lack of awareness and varied attitudes towards EA among pregnant women in Taif City. Educational interventions are necessary to increase awareness and address cultural misconceptions. The study's limited scope and potential sample bias suggest the need for broader culturally tailored research to inform strategies for improving the acceptance and utilization of labor analgesia.
  9. Khan ZUR, Assad N, Naeem-Ul-Hassan M, Sher M, Alatawi FS, Alatawi MS, et al.
    BMC Chem, 2023 Sep 28;17(1):128.
    PMID: 37770921 DOI: 10.1186/s13065-023-01047-5
    In this study, a polar extract of Aconitum lycoctonum L. was used for the synthesis of silver nanoparticles (AgNPs), followed by their characterization using different techniques and evaluation of their potential as antioxidants, amylase inhibitors, anti-inflammatory and antibacterial agents. The formation of AgNPs was detected by a color change, from transparent to dark brown, within 15 min and a surface resonance peak at 460 nm in the UV-visible spectrum. The FTIR spectra confirmed the involvement of various biomolecules in the synthesis of AgNPs. The average diameter of these spherical AgNPs was 67 nm, as shown by the scanning electron micrograph. The inhibition zones showed that the synthesized nanoparticles inhibited the growth of Gram-positive and negative bacteria. FRAP and DPPH assays were used to demonstrate the antioxidant potential of AgNPs. The highest value of FRAP (50.47% AAE/mL) was detected at a concentration of 90 ppm and a DPPH scavenging activity of 69.63% GAE was detected at a concentration of 20 µg/mL of the synthesized AgNPs. 500 µg/mL of the synthesized AgNPs were quite efficient in causing 91.78% denaturation of ovalbumin. The AgNPs mediated by A. lycoctonum also showed an inhibitory effect on α-amylase. Therefore, AgNPs synthesized from A. lycoctonum may serve as potential candidates for antibacterial, antioxidant, anti-inflammatory, and antidiabetic agents.
  10. Shakhshir MH, Vanoh D, Hassan M, Zyoud SH
    J Health Popul Nutr, 2023 Sep 23;42(1):101.
    PMID: 37742012 DOI: 10.1186/s41043-023-00445-8
    BACKGROUND: Chronic kidney disease (CKD) is seen as a diverse disease and a primary contributor to global mortality. Malnutrition arises within chronic illness, which involves protein energy depletion and inadequate levels of essential nutrients. These factors increase the likelihood of death and the overall impact of the disease on affected individuals. Consequently, this study aims to utilize bibliometric and visual analysis to assess the current state of research, the latest advances and emerging patterns in the fields of CKD and malnutrition.

    METHODS: Extensive research was conducted using the Scopus database, which is the most authoritative database of research publications and citations, to focus on CKD research between 2003 and 2022, as indicated by title and author keywords. Then, within this vast collection of academic publications, a notable subset of articles was exclusively dedicated to investigating the relationship between CKD and malnutrition. Finally, we performed bibliometric analysis and visualization using VOSviewer 1.6.19 and Microsoft Excel 2013.

    RESULTS: Large global research between 2003 and 2022 resulted in 50,588 documents focused on CKD, as indicated by title and author keywords. In this extensive collection of scientific publications, a staggering portion of 823 articles is devoted exclusively to investigating the link between CKD and malnutrition. Further analysis reveals that this body of work consists of 565 articles (68.65%), 221 reviews (26.85%), and 37 miscellaneous entries (4.50%), which encompass letters and editorials. The USA was found to be the most productive country (n = 173; 21.02%), followed by Italy (n = 83; 10.09%), Sweden (n = 56; 6.80%), Brazil (n = 54; 6.56%) and China (n = 51; 6.20%). The most common terms on the map include those related to the topic of (a) malnutrition in hemodialysis patients and predicting factors; terms associated with the (b) impact of malnutrition on cardiovascular risk and complications in CKD patients; and terms related to the (c) dietary protein intake and malnutrition in CKD.

    CONCLUSIONS: This study is the first of its kind to analyze CKD and malnutrition research using data from Scopus for visualization and network mapping. Recent trends indicate an increasing focus on protein-energy wasting/malnutrition in hemodialysis patients and predicting factors, dietary protein intake, and malnutrition in CKD. These topics have gained significant attention and reflect the latest scientific advances. Intervention studies are crucial to examining diet therapy's impact on patients with stages 1 to 5 CKD. We hope this study will offer researchers, dietitians and nephrologists valuable information.

  11. Muhammed A, Shariff-Ghazali S, Md Said S, Hassan M, Lee K
    Birth, 2023 Sep;50(3):587-595.
    PMID: 36226886 DOI: 10.1111/birt.12681
    BACKGROUND: The majority of women in Sokoto, Nigeria prefer homebirths, but midwives are reluctant to provide care in the home setting. As such, many women continue to give birth at home alone or assisted by untrained attendants, which is associated with an increased risk for maternal and neonatal morbidity and mortality.

    METHODS: A randomized controlled trial was conducted among 226 midwives from 10 health care facilities. The intervention group received an educational program on home birth. A validated questionnaire that evaluated knowledge, attitudes, norms, perceived control, and intention to provide planned home birth care was given at baseline, immediately after the intervention, and at three-months follow-up. Data were analyzed using linear mixed-effect model statistics.

    RESULTS: Following the intervention, the intervention group demonstrated higher knowledge and more positive attitudes, norms, perceived control, and intention to provide planned home birth care compared with the control group (P  0.05).

    DISCUSSION: Educating midwives on planned home birth increases their willingness to provide planned home birth care. Health system administrators, policymakers, and researchers may use similar interventions to promote skilled home birth attendance by midwives. Increasing the number of midwives who are willing to attend planned home births provides women at low risk for medical complications with safer options for labor, delivery, and postpartum care.

  12. Mod Razif MRF, Chan SY, Widodo RT, Chew YL, Hassan M, Hisham SA, et al.
    Cancers (Basel), 2023 Jul 24;15(14).
    PMID: 37509402 DOI: 10.3390/cancers15143741
    BACKGROUND: Luteolin is a flavonoid compound that has been widely studied for its various anti-cancer properties and sensitization to multidrug-resistant cells. However, the limited solubility and bioavailability of Lut hindered its potential clinical use. Theoretically, the combination of this compound with vitamin E TPGS and poloxamer 407 can produce a synergistic effect to enhance tumor apoptosis and P-glycoprotein inhibition. This study aimed to develop and optimize vitamin E TPGS/Poloxamer 407 micelles loaded with luteolin through investigating certain factors that can affect the encapsulation efficiency and particle size of the micelle.

    METHODS: A micelle was prepared using the film hydration method, and the micellar solution was lyophilized. The cake formed was analyzed. The factors investigated include the concentrations of the surfactants, ratio of vitamin E TPGS/Poloxamer 407, temperature of the hydrating solution, duration of hydration, and freezing temperature before lyophilization. The effects of these factors on the encapsulation efficiency and particle size of the micelle were also studied. The encapsulation efficiency was measured using a UV-Vis spectrophotometer, while particle size was measured using dynamic light scattering.

    RESULTS: The optimized micelle was found to have 90% encapsulation efficiency with a particle size of less than 40 nm, which was achieved using a 10% concentration of surfactants at a vitamin E TPGS/Poloxamer 407 ratio of 3:1. The optimized temperature for hydrating the micellar film was 40 °C, the optimized mixing time was 1 h, and the optimized freezing temperature was -80 °C. The solubility of the luteolin-loaded micelles increased 459-fold compared to pure Lut in water. The critical micelle concentration of the vitamin E TPGS/Poloxamer 407 micelle was 0.001 mg/mL, and the release study showed that luteolin-loaded micelles exhibited sustained release behavior. The release of luteolin from a micelle was found to be higher in pH 6.8 compared to pH 7.4, which signified that luteolin could be accumulated more in a tumor microenvironment compared to blood.

    CONCLUSION: This study demonstrated that several factors need to be considered when developing such nanoparticles in order to obtain a well-optimized micelle.

  13. Abbasi MA, Rubab K, Aziz-Ur-Rehman, Siddiqui SZ, Hassan M, Raza H, et al.
    ACS Omega, 2023 Jun 27;8(25):22899-22911.
    PMID: 37396264 DOI: 10.1021/acsomega.3c01882
    The aim of this work was to bring forth some new hybrid molecules having pharmacologically potent indole and 1,3,4-oxadiazole heterocyclic moieties unified with a propanamide entity. The synthetic methodology was initiated by esterification of 2-(1H-indol-3-yl)acetic acid (1) in a catalytic amount of sulfuric acid and ethanol in excess, to form ethyl 2-(1H-indol-3-yl)acetate (2), which was converted to 2-(1H-indol-3-yl)acetohydrazide (3) and further transformed to 5-(1H-indole-3-yl-methyl)-1,3,4-oxadiazole-2-thiol (4). 3-Bromopropanoyl chloride (5) was reacted with various amines (6a-s) in aqueous alkaline medium to generate a series of electrophiles, 3-bromo-N-(substituted)propanamides (7a-s), and these were further reacted with nucleophile 4 in DMF and NaH base to yield the targeted N-(substituted)-3-{(5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl)sulfanyl}propanamides (8a-s). The chemical structures of these biheterocyclic propanamides were confirmed by IR, 1H NMR, 13C NMR, and EI-MS spectral techniques. These compounds were evaluated for their enzyme inhibitory potentials against the α-glucosidase enzyme, where the compound 8l showed promising enzyme inhibitory potential with an IC50 value less than that of the standard acarbose. Molecular docking results of these molecules were coherent with the results of their enzyme inhibitory potentials. Cytotoxicity was assessed by the percentage of hemolytic activity method, and these compounds generally exhibited very low values as compared to the reference standard, Triton-X. Hence, some of these biheterocyclic propanamides might be considered as salient therapeutic agents in further stages of antidiabetic drug development.
  14. Hakimi M, Manogaran MD, Shamsuddin R, Mohd Johari SA, Abdalla M Hassan M, Soehartanto T
    Heliyon, 2023 Jun;9(6):e17096.
    PMID: 37342579 DOI: 10.1016/j.heliyon.2023.e17096
    Plant herbs specifically serai wangi (SW) and peppermint (PPM) are selected for its insect repellent properties as the use of chicken manure (CM) in anaerobic digestion (AD) potentially attract flies due to the digestate produced. Hence, the addition of SW and PPM in the AD system of CM could deter flies' infestation while producing biogas. Previous work has shown that AD of sawdust (SD) and CM with these plant herbs were able to produce biogas and reduce the flies attraction towards the digestate. However, the combination of SW and PPM for AD of CM has yet to be investigated. This work describes the effect of mixing SW and PPM on the co-AD of SDCM with respect to biogas production, methane yield and kinetic analysis. The mixture of SW and PPM was varied at different concentrations. The composition of methane in biogas was characterized every 10 days by using gas chromatography (GC) equipped with a thermal conductivity detector (TCD). The results suggest that co-AD of 10SW10PPM exhibited the highest biogas production (52.28 mL/gvs) and methane yield (30.89 mL/gvs), which the purity of methane increased by 18.52% as compared to SDCM. However, increasing the concentration of SW and PPM does not significantly improve the overall process. High R2 (0.927-0.999), low RMSE (0.08-0.61) and low prediction error (<10.00%) were displayed by the modified Gompertz, logistic and Cone models. In contrast, Monod and Fitzhugh model is not preferred for the co-AD of SDCM with a mixture of SW and PM, as a high prediction error is obtained throughout the study. Increasing the dosage of PPM decreases the maximum cumulative methane yield, ranging from 31.76 to 7.01 mL/gvs for modified Gompertz and 89.56 to 19.31 mL/gvs for logistic model. The Modified Gompertz obtained a lag phase of 10.01-28.28 days while the logistic model obtained a lag phase of 37.29-52.48 days.
  15. Hassan M, Melad AAN, Zakariah MI, Yusoff NAH
    Trop Life Sci Res, 2023 Jun;34(2):177-196.
    PMID: 38144386 DOI: 10.21315/tlsr2023.34.2.9
    This study evaluated the histopathological changes in the gill, liver and kidney of African catfish (Clarias gariepinus) intoxicated with a sub-lethal dose of Melaleuca cajuputi leaves extract (MCLE) for 96 h. The acute toxicity test has been determined previously with a value of 96-h LC50 = 127 mg/L, hence the selection of sub-lethal ranges from 60 mg/L to 160 mg/L of MCLE. Degenerative alterations were prominent in all tested organs, particularly after exposure to a high concentration of MCLE. Gill exhibited haemorrhage, epithelial lifting, lamellar disorganisation, and necrosis after exposure to a high MCLE concentration. Alterations in the liver include congestion, hydropic degeneration, and vacuolation, whereas lesions in the kidney were pyknosis, vacuolation, hydropic degeneration, and tubular necrosis. The obtained data showed that the organs experienced severe changes proportional to the increase in MCLE concentration. In addition, fish exposed to higher concentrations than the LC50 value experienced irreversible lesions. The present study suggests that the use of MCLE below the LC50 is recommended to avoid severe alterations to organs, particularly in African catfish. This study demonstrated that the use of MCLE above the LC50 promotes severe damage to the gills, liver and kidney of African catfish. However, further investigations are needed to define the causing-mechanisms underlying these effects.
  16. Zifruddin AN, Mohamad Yusoff MA, Abd Ghani NS, Nor Muhammad NA, Lam KW, Hassan M
    Comput Biol Chem, 2023 Apr;103:107811.
    PMID: 36645937 DOI: 10.1016/j.compbiolchem.2023.107811
    Metisa plana (Lepidoptera: Psychidae) bagworm is a leaf-eater caterpillar ubiquitously found as a damaging pest in oil palm plantations, specifically in Malaysia. Various strategies have been implemented, including the usage of chemical insecticides. However, the main challenges include the development of insecticide resistance and its detrimental effects on the environment and non-target organisms. Therefore, a biorational insecticide is introduced by targeting the juvenile hormone (JH) biosynthetic pathway, which is mainly present in the insect and vital for the insect's growth, diapause, metamorphosis, and adult reproduction. This study aimed to investigate the potential inhibitor for the rate-limiting enzyme involved in the JH pathway known as farnesol dehydrogenase. A 255 amino acids sequence encoded for the putative M. plana farnesol dehydrogenase (MpFolDH) open reading frame had been identified and isolated. The three-dimensional structure of MpFolDH was predicted to have seven β- sheets with α-helices at both sides, showing typical characteristics for classical short-chain dehydrogenase and associated with oxidoreductase activity. Then, the ensemble-based virtual screening was conducted based on the ZINC20 database, in which 43 768 compounds that fulfilled pesticide-likeness criteria were screened by site-specific molecular docking. After a short molecular dynamics simulation (5 ns) was conducted towards 102 compounds, only the top 10 compounds based on their most favourable binding energy were selected for a more extended simulation (100 ns). Based on the protein-ligand stability, protein compactness, residues rigidity, binding interaction, binding energy throughout the 100 ns simulation, and physicochemical analysis, ZINC000408743205 was selected as a potential inhibitor for this enzyme. Amino acids decomposition analysis indicates Ile18, Ala95, Val198 and Val202 were the critical contributor residues for MpFolDH-inhibitors(s) complex.
  17. Satyaveanthan MV, Ng CL, Awang A, Lam KW, Hassan M
    Insect Mol Biol, 2023 Apr;32(2):143-159.
    PMID: 36454188 DOI: 10.1111/imb.12820
    In Southeast Asia, Conopomorpha cramerella (Snellen) which is commonly known as the cocoa pod borer (CPB) moth has been identified as the most detrimental pest of Theobroma cacao L. Apart from the various side effects on human health and non-target organisms, heavily relying on synthetic pyrethroid insecticides to control CPB infestations also increases the environmental contamination risks. Thus, developing biorational insecticides that minimally affect the non-target organism and environment by targeting the insect growth regulation process is needed to manage the pest population. In insects, juvenile hormones (JH) regulate critical biological events, especially metamorphosis, development and reproduction. Since the physiological roles of JH III vary among different organisms, the biochemical properties, especially substrate specificity and analogue inhibition, may also be different. Therefore, studies on the JH III biosynthetic pathway enzymes in both plants and insects are beneficial to discover more effective analogues. Bioinformatic analysis and biochemical characterization of a NADP+ -dependent farnesol dehydrogenase, an intermediate enzyme of the JH III pathway, from C. cramerella (CcFolDH), were described in this study. In addition, the farnesol analogues that may act as a potent analogue inhibitor for CcFolDH ware determined using in vitro enzymatic study. The phylogenetic analysis indicated that CcFolDH shared a close phylogenetic relationship to the honeybee's short-chain dehydrogenase/reductase. The 27 kDa CcFolDH has an NADP(H) binding domain with a typical Rossmann fold and is likely a homotetrameric protein in the solution. The enzyme had a greater preference for substrate trans, trans-farnesol and coenzyme NADP+ . In terms of analogue inhibitor inhibition, hexahydroxyfarnesyl acetone showed the highest inhibition (the lowest Ki ) compared to other farnesol analogues. Thus, hexahydroxyfarnesyl acetone would serve as the most potent active ingredient for future biorational pesticide management for C. cramerella infestation. Based on the bioinformatic analyses and biochemical characterizations conducted in this research, we proposed that rCcFolDH differs slightly from other reported farnesol dehydrogenases in terms of molecular weight, substrate preference, coenzymes utilization and analogue inhibitors selection.
  18. Bala AA, Mohammed M, Umar S, Ungogo MA, Al-Kassim Hassan M, Abdussalam US, et al.
    Toxicon, 2023 Mar 01;224:107035.
    PMID: 36706926 DOI: 10.1016/j.toxicon.2023.107035
    The World Health Organization has listed Snakebite Envenoming (SBE) as a priority neglected tropical disease, with a worldwide annual snakebite affecting 5.4 million people and injuring 2.7 million lives. In many parts of rural areas of Africa and Asia, medicinal plants have been used as alternatives to conventional antisnake venom (ASV) due in part to inaccessibility to hospitals. Systemic reviews (SR) of laboratory-based preclinical studies play an essential role in drug discovery. We conducted an SR to evaluate the relationship between interventional medicinal plants and their observed effects on venom-induced experiments. This SR was reported according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses. The Modified collaborative approach to meta-analysis and review of animal data from experimental studies (CAMARADES) and SYRCLE's risk of bias tools were used to appraise the included studies. Data were searched online in Medline via PubMed, Embase via OVID, and Scopus. Studies reporting in vivo and in vitro pharmacological activities of African medicinal plants/extracts/constituents against venom-induced pathologies were identified and included for screening. Data from the included studies were extracted and synthesized. Ten studies reported statistically significant percentage protection (40-100%) of animals against venom-induced lethality compared with control groups that received no medicinal plant intervention. Sixteen studies reported significant effects (p ≤ 0.05) against venom-induced pathologies compared with the control group; these include hemolytic, histopathologic, necrotic, and anti-enzymatic effects. The plant family Fabaceae has the highest number of studies reporting its efficacy, followed by Annonaceae, Malvaceae, Combretaceae, Sterculiaceae, and Olacaceae. Some African medicinal plants are preclinically effective against venom-induced lethality, hematotoxicity, and cytotoxicity. The evidence was extracted from three in vitro studies, nine in vivo studies, and five studies that combined both in vivo and in vitro models. The effective plants belong to the Fabaceae family, followed by Malvaceae, and Annonaceae.
  19. Raza H, Rehman Sadiq Butt A, Athar Abbasi M, Aziz-Ur-Rehman, Zahra Siddiqui S, Hassan M, et al.
    Chem Biodivers, 2023 Feb;20(2):e202201019.
    PMID: 36597268 DOI: 10.1002/cbdv.202201019
    A multi-step synthesis of novel bi-heterocyclic N-arylated butanamides was consummated through a convergent strategy and the structures of these medicinal scaffolds, 7a-h, were corroborated using spectral techniques. The in vitro analysis of these hybrid molecules revealed their potent tyrosinase inhibition as compared to the standard used. The kinetics mechanism was investigated through Lineweaver-Burk plots which exposed that, 7f, inhibited tyrosinase enzyme non-competitively by forming the enzyme-inhibitor complex. The inhibition constants Ki calculated from Dixon plots for this compound was 0.025 μM. Their binding conformations were ascertained by in silico computational studies whereby these molecules disclosed good binding energy values (kcal/mol). So, it was anticipated from the current research that these bi-heterocyclic butanamides might be probed as imperative therapeutic agents for melanogenesis.
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