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  1. Insights into the structure and drug design of benzimidazole derivatives targeting the epidermal growth factor receptor (EGFR)
    Abdullah MN, Ali Y, Abd Hamid S
    Chem Biol Drug Des, 2022 Dec;100(6):921-934.
    PMID: 34651438 DOI: 10.1111/cbdd.13974
    Tyrosine kinase overexpression could result in an unfavourable consequence of cancer progression in the body. A number of kinase inhibitor drugs targeting various cancer-related protein kinases have been developed and proven successful in clinical therapy. Benzimidazole is one of the most studied scaffolds in the search for effective anticancer drugs. The association of various functional groups and the structural design of the compounds may influence the binding towards the receptor. Despite numerous publications on the design, synthesis and biological assays of benzimidazole derivatives, their inhibitory activities against epidermal growth factor receptor (EGFR), a receptor tyrosine kinase (RTK), have not been specifically analysed. This review covers recent research reports on the anticancer activity of benzimidazole derivatives focusing on EGFR expression cell lines, based on their structure-activity relationship study. We believe it would aid researchers to envision the challenges and explore benzimidazole's potentials as tyrosine kinase inhibitors.
  2. Comparative pharmacokinetic study of oral and rectal formulations of artesunic acid in healthy volunteers
    Navaratnam V, Mansor SM, Mordi MN, Akbar A, Abdullah MN
    Eur J Clin Pharmacol, 1998 Jul;54(5):411-4.
    PMID: 9754985
    OBJECTIVE: A single cross-over, comparative pharmacokinetic study of oral and rectal formulations of 200 mg artesunic acid in 12 healthy Malaysian volunteers is reported.

    METHODS: Plasma concentrations of artesunic acid and dihydroartemisinin were determined simultaneously by HPLC with electrochemical detection. The test drug was well tolerated and no undesirable adverse effects were observed.

    RESULTS: Comparison of pharmacokinetic parameters of artesunic acid after oral and rectal administration showed statistically significant differences in t(max) and AUC, with no changes for Cmax and t1/2. As for dihydroartemisinin, differences were observed for t(max) and Cmax but not for AUC.

    CONCLUSION: There appear to be pharmacokinetic differences between oral and rectal modes of administration. The significance of these findings should be explored in malaria patients before appropriate therapeutic regimens are devised.

  3. Fulltext Gastroprotective Effect of Polypeptide-K Isolated from Momordica charantia's Seeds on Multiple Experimental Gastric Ulcer Models in Rats
    Abu Bakar N', Hakim Abdullah MN, Lim V, Yong YK
    Evid Based Complement Alternat Med, 2022;2022:6098929.
    PMID: 35069762 DOI: 10.1155/2022/6098929
    Peptic ulcer disease is a multifactorial disorder and is the most significant public health concern nowadays. Previous study showed that essential oil extracted from Momordica charantia's seed exhibited gastroprotective effect. However, the evidence for the gastroprotective effect of its active compound, polypeptide K (PPK), remains unclear. This study aimed to examine the preventive effect of PPK against different experimental gastric lesions models in rats. The possible gastroprotective effect of PPK was assessed in hydrochloride ethanol- and indomethacin-induced gastric ulcer models in Sprague Dawley rats and was further evaluated macroscopically and microscopically. Pyloric ligation experiments were used to investigate gastric secretion. Oral administration of PPK at all concentrations (10, 25, and 50 mg/kg) showed significant (p < 0.05) reduction in total area of lesion in both hydrochloride ethanol- and indomethacin-induced gastric ulcer models. The highest inhibition rate was seen in PPK dose of 50 mg/kg with 64.9% and 72.2% on hydrochloride ethanol and indomethacin models, respectively. Microscopically, PPK preserved the normal architectures of the gastric tissues from being damaged by hydrochloride ethanol and indomethacin. Further, in the pyloric ligation studies, PPK significantly (p < 0.05) decreased the ulcer area where the highest protection was exhibited by 50 mg/kg with 70% inhibition rate. Moreover, all concentrations of PPK also significantly (p < 0.05) enhanced the gastric wall mucus secretion. Collectively, this study demonstrated the gastroprotective effect of PPK on hydrochloride ethanol- and indomethacin-induced gastric ulcer models. The possible mechanism might be associated with enhanced mucus secretion and thus lowering the total acidity.
  4. Fulltext Essential Oils Derived from Momordica charantia Seeds Exhibited Antiulcer Activity against Hydrogen Chloride/Ethanol and Indomethacin
    Abu Bakar N', Hakim Abdullah MN, Lim V, Yong YK
    Evid Based Complement Alternat Med, 2021;2021:5525584.
    PMID: 33976701 DOI: 10.1155/2021/5525584
    Momordica charantia (MC) is popular for its medicinal uses especially for treating diabetic-related complications. However, the antiulcer activity of essential oil derived from the seeds has not been systematically studied. This study aims to evaluate the gastroprotective activities of essential oil derived from the seed of MC induced by hydrochloride acid/ethanol (HCl/EtOH) and indomethacin and pylorus-ligation model. Gastric ulceration was induced by oral administration of HCl/EtOH solution or indomethacin on day 7 after animals have been pretreated with testing compounds. The first group received just distilled water and the second group received ranitidine (100 mg/kg). Groups 3, 4, and 5 received 10, 50, and 100 mg/kg of essential oil based on their body weight (10 mL/kg), respectively. Macroscopically, pretreatment of essential oil extracted from MC significantly decreased ulceration induced by HCl/EtOH and indomethacin in vivo. Microscopically, essential oil also significantly suppressed the formation of edema, epithelial disruption, and mucosa erosions. Moreover, essential oil significantly elevated the pH without decreasing the total acidity of the gastric juice and was able to increase the amount of adherent mucus compared to control. Current results provide scientific basis to the ethno-pharmacological usage of the MC in preventing ulcer formation induced by HCl/EtOH and indomethacin.
  5. Free radical scavenging activity of conjugated linoleic acid as single or mixed isomers
    Ali YM, Kadir AA, Ahmad Z, Yaakub H, Zakaria ZA, Abdullah MN
    Pharm Biol, 2012 Jun;50(6):712-9.
    PMID: 22181061 DOI: 10.3109/13880209.2011.621714
    Conjugated linoleic acids (CLAs) are a mixture of positional and geometric isomers of linoleic acid (LA) and believed to have many positive biological activities.
  6. Expression of recombinant human epidermal growth factor in Escherichia coli and characterization of its biological activity
    Abdull Razis AF, Ismail EN, Hambali Z, Abdullah MN, Ali AM, Mohd Lila MA
    Appl Biochem Biotechnol, 2008 Mar;144(3):249-61.
    PMID: 18556814
    Recombinant human epidermal growth factor (EGF) was successfully expressed as a fusion protein in Escherichia coli system. This system was used OmpA signal sequence to produce soluble protein into the periplasm of E. coli. Human EGF (hEGF) synthesized in bacterial cell was found to be similar in size with the original protein and molecular weight approximately at 6.8 kDa. Cell proliferation assay was conducted to characterize the biological activity of hEGF on human dermal fibroblasts. The synthesized hEGF was found to be functional as compared with authentic hEGF in stimulating cell proliferation and promoting growth of cell. In comparison of biological activity between synthesized and commercial hEGF on cell proliferation, the results showed there was no significant different. This finding indicates the synthesized hEGF in E. coli system is fully bioactive in vitro.
  7. Sea cucumber (Stichopus hermanii) based hydrogel to treat burn wounds in rats
    Zohdi RM, Zakaria ZA, Yusof N, Mustapha NM, Abdullah MN
    J Biomed Mater Res B Appl Biomater, 2011 Jul;98(1):30-7.
    PMID: 21504052 DOI: 10.1002/jbm.b.31828
    Malaysian sea cucumber was incorporated into hydrogel formulation by using electron beam irradiation technique and was introduced as novel cross-linked Gamat Hydrogel dressing. This study investigated whether Gamat Hydrogel enhanced repair of deep partial skin thickness burn wound in rats and its possible mechanism. Wounds were treated with either Gamat Hydrogel, control hydrogel, OpSite® film dressing or left untreated. Skin samples were taken at 7, 14, 21, and 28 days post burn for histological and molecular evaluations. Gamat Hydrogel markedly enhanced wound contraction and improved histological reorganization of the regenerating tissue. Furthermore, the dressing modulated the inflammatory responses, stimulated the activation and proliferation of fibroblasts, and enhanced rapid production of collagen fiber network with a consequently shorter healing time. The level of proinflammatory cytokines; IL-1α, IL-1β, and IL-6, were significantly reduced in Gamat Hydrogel treated wounds compared with other groups as assessed by reverse transcription-polymerase chain reaction (RT-PCR). In summary, our results showed that Gamat Hydrogel promoted burn wound repair via a complex mechanism involving stimulation of tissue regeneration and regulation of pro-inflammatory cytokines. The resultant wound healing effects were attributed to the synergistic effect of the hydrogel matrix and incorporated sea cucumber.
  8. Fulltext Study and Use of Rice Husk Ash as a Source of Aluminosilicate in Refractory Coating
    Abdullah MN, Mustapha M, Sallih N, Ahmad A, Mustapha F, Dahliyanti A
    Materials (Basel), 2021 Jun 22;14(13).
    PMID: 34206150 DOI: 10.3390/ma14133440
    The utilisation of rice husk ash (RHA) as an aluminosilicate source in fire-resistant coating could reduce environmental pollution and can turn agricultural waste into industrial wealth. The overall objective of this research is to develop a rice-husk-ash-based geopolymer binder (GB) fire-retardant additive (FR) for alkyd paint. Response surface methodology (RSM) was used to design the experiments work, on the ratio of RHA-based GB to alkyd paint. The microstructure behaviour and material characterisation of the coating samples were studied through SEM analysis. The optimal RHA-based GB FR additive was formulated at 50% wt. FR and 82.628% wt. paint. This formulation showed the result of 270 s to reach 200 °C and 276 °C temperature at equilibrium for thermal properties. Furthermore, it was observed that the increased contents of RHA showed an increment in terms of the total and open porosities and rough surfaces, in which the number of pores on the coating surface plays an important role in the formation of the intumescent char layer. By developing the optimum RHA-based GB to paint formulation, the coating may potentially improve building fire safety through passive fire protection.
  9. Psychological Distress of Health Care Workers in the Main Admitting Hospital and Its Related Health Care Facilities in Malaysia During the COVID-19 Pandemic
    Razali S, Abdullah MN, Rahman NA, Azhar NA, Yaacob SS
    Asia Pac J Public Health, 2021 07;33(5):667-669.
    PMID: 33969738 DOI: 10.1177/10105395211014348
  10. Fulltext Automated water recycle (AWR) method for dust removal from rooftop photovoltaic (PV) at Johor, Malaysia
    Islam SZ, Izzati NS, Abdullah MN, Kamarudin MS, Omar R, Uddin J
    SN Appl Sci, 2022;4(11):321.
    PMID: 36339650 DOI: 10.1007/s42452-022-05205-7
    Abstract: Wet dust on the Photovoltaic (PV) surface is a persistent problem that is merely considered for rooftop based PV cleaning under a high humid climate like Malaysia. This paper proposes an Automated Water Recycle (AWR) method encompassing a water recycling unit for rooftop PV cleaning with the aim to enhance the electrical performance. This study makes a major contribution by developing a new model to correlate output power ( P out ) and dust-fall factor. For model validation, we conducted an experiment of taking one set of Monocrystalline PV (mono) on a 340 W m 2 of medium luminance day. One mono module was cleaned by AWR - pressurized water sprayed through 11 small holes over its front surface, while the other module was left with no-cleaning. The dust-contaminated water was filtered and collected back to the tank for recycling process. The water loss per cleaning cycle was achieved 0.32%, which was normalized to net loss of 28.8% at a frequency of 1 cycle/day for 90 days of operation. We observed that P out of no-cleaning PV was decreased by 29.44% than that of AWR method. From this experimental data also, a unique and more accurate model is created for P out prediction, which is much simpler compared to multivariables equation. Our investigation offers important insights into the accuracy of this regression model demonstrated by R 2 = 0.744 or a strong negative quadratic relationship between P out and dust-fall. The cleaning of PV modules is expected to save significant energy to reduce the payback period.

    Article Highlights: An automated water recycle method for cleaning dust-fall in rooftop photovoltaic module is proposed.Both simulation and experimental models are developed to predict output power of the photovoltaic module.Proposed method can produce 24.40% more output power than a no-cleaning system with a mere water loss of 0.32%/cycle.

  11. Fulltext Cytotoxicity and Apoptosis Induction of Ardisia crispa and Its Solvent Partitions against Mus musculus Mammary Carcinoma Cell Line (4T1)
    Nordin ML, Abdul Kadir A, Zakaria ZA, Othman F, Abdullah R, Abdullah MN
    Evid Based Complement Alternat Med, 2017;2017:9368079.
    PMID: 28400849 DOI: 10.1155/2017/9368079
    This study was conducted to investigate the cytotoxicity and apoptosis effect of A. crispa extract and its solvent partition (ethyl acetate and aqueous extract) against Mus musculus mammary carcinoma cell line (4T1). The normal mouse fibroblast cell line (NIH3T3) was used as comparison for selective cytotoxicity properties. The cytotoxicity evaluation was assessed using MTT assay. AO/PI dual fluorescent staining assay and Annexin V-FITC were used for apoptosis analysis. Results showed that 80% methanol extract from leaves showed most promising antimammary cancer agent with IC50 value of 42.26 ± 1.82 μg/mL and selective index (SI) value of 10.22. Ethyl acetate was cytotoxic for both cancer and normal cell while aqueous extract exhibited poor cytotoxic effect. 4T1 cells labelled with AO/PI and Annexin V-FITC and treated with 80% methanol extract demonstrated that the extract induces apoptosis to 4T1 mammary cancer cells. In conclusion, 80% methanol extract of A. crispa was selectively cytotoxic towards 4T1 cells but less cytotoxic towards NIH3T3 cells and induced the cancerous cells into apoptotic stage as early as 6 hours.
  12. Fulltext Workplace Mental State Monitoring during VR-Based Training for Offshore Environment
    Abu Hasan R, Sulaiman S, Ashykin NN, Abdullah MN, Hafeez Y, Ali SSA
    Sensors (Basel), 2021 Jul 18;21(14).
    PMID: 34300624 DOI: 10.3390/s21144885
    Adults are constantly exposed to stressful conditions at their workplace, and this can lead to decreased job performance followed by detrimental clinical health problems. Advancement of sensor technologies has allowed the electroencephalography (EEG) devices to be portable and used in real-time to monitor mental health. However, real-time monitoring is not often practical in workplace environments with complex operations such as kindergarten, firefighting and offshore facilities. Integrating the EEG with virtual reality (VR) that emulates workplace conditions can be a tool to assess and monitor mental health of adults within their working environment. This paper evaluates the mental states induced when performing a stressful task in a VR-based offshore environment. The theta, alpha and beta frequency bands are analysed to assess changes in mental states due to physical discomfort, stress and concentration. During the VR trials, mental states of discomfort and disorientation are observed with the drop of theta activity, whilst the stress induced from the conditional tasks is reflected in the changes of low-alpha and high-beta activities. The deflection of frontal alpha asymmetry from negative to positive direction reflects the learning effects from emotion-focus to problem-solving strategies adopted to accomplish the VR task. This study highlights the need for an integrated VR-EEG system in workplace settings as a tool to monitor and assess mental health of working adults.
  13. Fulltext Thermal Properties and Drying Shrinkage Performance of Palm Kernel Shell Ash and Rice Husk Ash-Based Geopolymer Concrete
    Abdullah MN, Mustapha F, Yusof N', Khan T, Sebaey TA
    Materials (Basel), 2024 Mar 11;17(6).
    PMID: 38541452 DOI: 10.3390/ma17061298
    This study aims to develop suitable formulations of geopolymer concrete (GPC) by varying the percentages of the geopolymer with aggregates and evaluating the performances in thermal and mechanical properties of palm kernel shell ash (PKSA)-GPC compared to rice husk ash (RHA)-GPC and ordinary Portland cement concrete (OPCC). Preliminary tests were conducted to select the best mix design ratios before casting the specimens. Then, the performance of the PKSA-GPC, RHA-GPC and OPCC specimens was evaluated based on their thermal performance and drying shrinkage. The mix designs of PKSA-GPC 70:30, PKSA-GPC 60:40, PKSA-GPC 50:50 and PKSA-GPC 66.6:33.3 were found to produce an acceptable consistency, rheological and thixotropic behaviour for the development of the GPC. PKSA-GPC showed a better thermal performance than the RHA-GPC and OPCC due to their strong and dense intumescent layers and slow temperature increment upon exposure to a high flame temperature from ambient temperature to 169 °C. The low molar ratio of the Si/Al present in the PKSA-GPC created a thermally stable intumescent layer. In the drying shrinkage test, PKSA-GPC 60:40 and RHA-GPC 60:40 shared an equal drying shrinkage performance (5.040%) compared to the OPCC (8.996%). It was observed that microcrack formation could significantly contribute to the high shrinkage in the PKSA-GPC 50:50 and RHA-GPC 70:30 specimens. The findings of this study show that PKSA could be incorporated into GPC as a fire-retardant material due to its capability of prolonging the spread of fire upon ignition and acting as an alternative to the conventional OPCC.
  14. Fulltext Gelam (Melaleuca spp.) Honey-Based Hydrogel as Burn Wound Dressing
    Mohd Zohdi R, Abu Bakar Zakaria Z, Yusof N, Mohamed Mustapha N, Abdullah MN
    Evid Based Complement Alternat Med, 2012;2012:843025.
    PMID: 21941590 DOI: 10.1155/2012/843025
    A novel cross-linked honey hydrogel dressing was developed by incorporating Malaysian honey into hydrogel dressing formulation, cross-linked and sterilized using electron beam irradiation (25 kGy). In this study, the physical properties of the prepared honey hydrogel and its wound healing efficacy on deep partial thickness burn wounds in rats were assessed. Skin samples were taken at 7, 14, 21, and 28 days after burn for histopathological and molecular evaluations. Application of honey hydrogel dressings significantly enhanced (P < 0.05) wound closure and accelerated the rate of re-epithelialization as compared to control hydrogel and OpSite film dressing. A significant decrease in inflammatory response was observed in honey hydrogel treated wounds as early as 7 days after burn (P < 0.05). Semiquantitative analysis using RT-PCR revealed that treatment with honey hydrogel significantly (P < 0.05) suppressed the expression of proinflammatory cytokines (IL-1α, IL-1β, and IL-6). The present study substantiates the potential efficacy of honey hydrogel dressings in accelerating burn wound healing.
  15. Fulltext Mechanism(s) of action underlying the gastroprotective effect of ethyl acetate fraction obtained from the crude methanolic leaves extract of Muntingia calabura
    Zakaria ZA, Balan T, Azemi AK, Omar MH, Mohtarrudin N, Ahmad Z, et al.
    BMC Complement Altern Med, 2016 Feb 24;16:78.
    PMID: 26912079 DOI: 10.1186/s12906-016-1041-0
    BACKGROUND: Muntingia calabura L. (family Muntingiaceae), commonly known as Jamaican cherry or kerukup siam in Malaysia, is used traditionally to treat various ailments. The aim of this study is to elucidate the possible underlying gastroprotective mechanisms of ethyl acetate fraction (EAF) of Muntingia calabura methanolic leaves extract (MEMC).

    METHODS: MEMC and its fractions were subjected to HPLC analysis to identify and quantify the presence of its phyto-constituents. The mechanism of gastroptotection of EAF was further investigated using pylorus ligation-induced gastric lesion rat model (100, 250, and 500 mg/kg). Macroscopic analysis of the stomach, evaluation of gastric content parameters such as volume, pH, free and total acidity, protein estimation, and quantification of mucus were carried out. The participation of nitric oxide (NO) and sulfhydryl (SH) compounds was evaluated and the superoxide dismutase (SOD), gluthathione (GSH), catalase (CAT), malondialdehyde (MDA), prostaglandin E2 (PGE2) and NO level in the ethanol induced stomach tissue homogenate was determined.

    RESULTS: HPLC analysis confirmed the presence of quercetin and gallic acid in EAF. In pylorus-ligation model, EAF significantly (p <0.001) prevent gastric lesion formation. Volume of gastric content and total protein content reduced significantly (p 

  16. Fulltext Awareness, Knowledge, Attitude and Preventive Practice of Leptospirosis Among Healthy Malaysian and Non-Malaysian Wet Market Workers in Selected Urban Areas in Selangor, Malaysia
    Samsudin S, Saudi SNS, Masri NS, Ithnin NR, T Z M T J, Hamat RA, et al.
    Int J Environ Res Public Health, 2020 02 19;17(4).
    PMID: 32093098 DOI: 10.3390/ijerph17041346
    Leptospirosis has been reported as an endemic in most tropical countries. Among high risk occupations, leptospirosis includes workers in agriculture and domestic animal industries. Environmental hygiene in the wet market has established a link between the presence of rodents with probability of leptospirosis infection. This study was aimed to compare the level of knowledge, attitude and preventive practice against leptospirosis between healthy Malaysian and non-Malaysian wet market workers in selected wet markets in urban areas of Selangor. A cross-sectional study in the determined area was conducted with the participation of 147 respondents. The respondents were randomly chosen from the list provided by the state agency that regulates these markets. A self-administered bilingual validated questionnaire (English and Bahasa Melayu) was distributed to the selected respondents. There were 68 (48.3%) Malaysian respondents and 79 (53.7%) non-Malaysian respondents. The majority of them were males, who attained formal education and were less than 40 years old. Meanwhile, the respondents earned less than RM3000. Among the Malaysian respondents, 80.9% were aware of leptospirosis as compared to 17.7% of the non-Malaysian colleagues (p < 0.05). All items of knowledge showed that the Malaysian respondents scored higher as compared to non-Malaysian respondents. On attitude towards infection prevention, most Malaysian respondents had a positive attitude, while most non-Malaysian respondents had undecided perception on the majority of crucial attitude items. In practicing preventive measures, there was a marked significant difference in proportion between Malaysian and non-Malaysian respondents for items on "Specific Protection and Isolation at Source." There was a significant gap on knowledge, attitude and preventive practice among Malaysian workers as compared to non-Malaysian workers. Therefore, it was highly recommended the health promotion implementation should also provide specific focus on non-Malaysian workers.
  17. Fulltext Stigma, Sociodemographic Factors, and Clinical Factors Associated with Psychological Distress among COVID-19 Survivors during the Convalescence Period: A Multi-Centre Study in Malaysia
    Abdul Taib NI, Nik Jaafar NR, Azman N, Leong Bin Abdullah MFI, Mohamad Kamal NA, Baharudin A, et al.
    Int J Environ Res Public Health, 2023 Feb 21;20(5).
    PMID: 36900807 DOI: 10.3390/ijerph20053795
    High rates of psychological distress among COVID-19 survivors and stigmatisation have been reported in both early and late convalescence. This study aimed to compare the severity of psychological distress and to determine the associations among sociodemographic and clinical characteristics, stigma, and psychological distress among COVID-19 survivors across two different cohorts at two different time points. Data were collected cross-sectionally in two groups at one month and six months post-hospitalisation among COVID-19 patient from three hospitals in Malaysia. This study assessed psychological distress and the level of stigma using the Kessler Screening Scale for Psychological Distress (K6) and the Explanatory Model Interview Catalogue (EMIC) stigma scale, respectively. At one month after discharge, significantly lower psychological distress was found among retirees (B = -2.207, 95% confidence interval [95% CI] = -4.139 to -0.068, p = 0.034), those who received up to primary education (B = -2.474, 95% CI = -4.500 to -0.521, p = 0.014), and those who had an income of more than RM 10,000 per month (B = -1.576, 95% CI = -2.714 to -0.505, p = 0.006). Moreover, those with a history of psychiatric illness [one month: (B = 6.363, 95% CI = 2.599 to 9.676, p = 0.002), six months: (B = 2.887, CI = 0.469-6.437, p = 0.038)] and sought counselling services [one month: (B = 1.737, 95% CI = 0.385 to 3.117, p = 0.016), six months: (B = 1.480, CI = 0.173-2.618, p = 0.032)] had a significantly higher severity of psychological distress at one month and six months after discharge from the hospital. The perceived stigma of being infected with COVID-19 contributed to greater severity of psychological distress. (B = 0.197, CI = 0.089-0.300, p = 0.002). Different factors may affect psychological distress at different periods of convalescence after a COVID-19 infection. A persistent stigma contributed to psychological distress later in the convalescence period.
  18. In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones
    Hassan SA, Aziz DM, Abdullah MN, Bhat AR, Dongre RS, Hadda TB, et al.
    J Biomol Struct Dyn, 2024 Apr;42(7):3747-3763.
    PMID: 37402503 DOI: 10.1080/07391102.2023.2226713
    In this work, Schiff bases and Thiazolidin-4-ones, were synthesized using Sonication and Microwave techniques, respectively. The Schiff base derivatives (3a-b) were synthesized via the reaction of Sulfathiazole (1) with benzaldehyde derivatives (2a-b), followed by the synthesis of 4-thiazoledinone (4a-b) derivatives by cyclizing the synthesized Schiff bases through thioglycholic acid. All the synthesized compounds were characterized by spectroscopic techniques such as FT IR, NMR and HRMS. The synthesized compounds were tested for their in vitro antimicrobial and antioxidant and in vivo cytotoxicity and hemolysis ability. The synthesized compounds displayed better antimicrobial and antioxidant activity and low toxicity in comparison to reference drugs and negative controls, respectively. The hemolysis test revealed the compounds exhibit lower hemolytic effects and hemolytic values are comparatively low and the safety of compounds is in comparison with standard drugs. Theoretical calculations were carried out by using the molecular operating environment (MOE) and Gaussian computing software and observations were in good agreement with the in vitro and in vivo biological activities. Petra/Osiris/Molinspiration (POM) results indicate the presence of three combined antibacterial, antiviral and antitumor pharmacophore sites. The molecular docking revealed the significant binding affinities and non-bonding interactions between the compounds and Erwinia Chrysanthemi (PDB ID: 1SHK). The molecular dynamics simulation under in silico physiological conditions revealed a stable conformation and binding pattern in a stimulating environment. HighlightsNew series of Thaiazolidin-4-one derivatives have been synthesized.Sonication and microwave techniques are used.Antimicrobial, Antioxidant, cytotoxicity, and hemolysis activities were observed for all synthesized compounds.Molecular Docking and DFT/POM analyses have been predicted.Communicated by Ramaswamy H. Sarma.
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