Displaying publications 141 - 160 of 343 in total

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  1. Molecular dynamics simulation and structural analysis of aquaporin Z from an Antarctic Pseudomonas sp. strain AMS3
    Balakrishnan S, Rahman RNZRA, Noor NDM, Latip W, Ali MSM
    J Biomol Struct Dyn, 2023;41(21):11498-11509.
    PMID: 36598349 DOI: 10.1080/07391102.2022.2164519
    Aquaporin is a water channel protein that facilitates the movement of water across the cell membrane. Aquaporin from the Antarctic region has been noted for its psychrophilic properties and its ability to perform at a lower temperature but there remains limited understanding of the water mechanism of Antarctic Pseudomonas sp. strain AMS3 However, studies regarding aquaporin isolated from psychrophilic Pseudomonas sp. are still scattered. Recently, the genome sequence of an Antarctic Pseudomonas sp. strain AMS3 revealed a gene sequence encoding for a putative aquaporin designated as AqpZ1 AMS3. In this study, structure analysis and a molecular dynamics (MD) simulation of a predicted model of a fully hydrated aquaporin tetramer embedded in a lipid bilayer was performed at different temperatures for structural flexibility and stability analysis. The MD simulation results revealed that the structures were able to remain stable at low to medium temperatures. The protein was observed to have high flexibility in the loop region as compared to the helices region throughout the simulated temperatures. The selectivity filter and NPA motifs play a major role in solute selectivity and the pore radius of the protein. The structural and functional characterization of this psychrophilic aquaporin provides new insights for the future applications of this protein.Communicated by Ramaswamy H. Sarma.
  2. Fulltext Enhancing software defect prediction: a framework with improved feature selection and ensemble machine learning
    Ali M, Mazhar T, Al-Rasheed A, Shahzad T, Yasin Ghadi Y, Amir Khan M
    PeerJ Comput Sci, 2024;10:e1860.
    PMID: 39669467 DOI: 10.7717/peerj-cs.1860
    Effective software defect prediction is a crucial aspect of software quality assurance, enabling the identification of defective modules before the testing phase. This study aims to propose a comprehensive five-stage framework for software defect prediction, addressing the current challenges in the field. The first stage involves selecting a cleaned version of NASA's defect datasets, including CM1, JM1, MC2, MW1, PC1, PC3, and PC4, ensuring the data's integrity. In the second stage, a feature selection technique based on the genetic algorithm is applied to identify the optimal subset of features. In the third stage, three heterogeneous binary classifiers, namely random forest, support vector machine, and naïve Bayes, are implemented as base classifiers. Through iterative tuning, the classifiers are optimized to achieve the highest level of accuracy individually. In the fourth stage, an ensemble machine-learning technique known as voting is applied as a master classifier, leveraging the collective decision-making power of the base classifiers. The final stage evaluates the performance of the proposed framework using five widely recognized performance evaluation measures: precision, recall, accuracy, F-measure, and area under the curve. Experimental results demonstrate that the proposed framework outperforms state-of-the-art ensemble and base classifiers employed in software defect prediction and achieves a maximum accuracy of 95.1%, showing its effectiveness in accurately identifying software defects. The framework also evaluates its efficiency by calculating execution times. Notably, it exhibits enhanced efficiency, significantly reducing the execution times during the training and testing phases by an average of 51.52% and 52.31%, respectively. This reduction contributes to a more computationally economical solution for accurate software defect prediction.
  3. Fulltext Delivering remote pulmonary rehabilitation in Bangladesh: a mixed-method feasibility study
    Habib GMM, Uzzaman N, Rabinovich R, Akhter S, Sultana M, Ali M, et al.
    J Glob Health, 2025 Feb 14;15:04002.
    PMID: 39946559 DOI: 10.7189/jogh.15.04002
    BACKGROUND: Pulmonary rehabilitation (PR) is an effective and essential component of care for the increasing number of individuals with chronic respiratory diseases (CRDs). Despite the benefits, it remains underutilised and poorly accessible in low- and middle-income countries (LMICs). We aimed to determine the feasibility of delivering PR in Bangladesh at home because of pandemic travel restrictions.

    METHODS: Aligned with the Medical Research Council framework of development and evaluation of complex interventions, we recruited individuals with CRDs from the Community Respiratory Centre, Khulna, to a mixed-methods feasibility study. We assessed their functional exercise capacity and quality of life before and after an eight-week course of home PR, and conducted semi-structured interviews with PR providers and professional stakeholders by using a topic guide aligned with the normalisation process theory (NPT) and interpreting the findings within its constructs.

    RESULTS: We recruited 51 out of 61 referred patients with a range of CRDs, of whom 44 (86%) completed ≥70% of their home PR course. Functional exercise capacity, measured by the endurance shuttle walk test, improved in 78% of patients, with 48% exceeding the minimum clinically important difference (MCID). Health-related quality of life, measured by the Chronic Obstructive Pulmonary Disease Assessment Test, improved by more than the MCID in 83% of patients. Through the interviews, we found that PR providers encountered challenges in remote video supervision due to unstable internet connections, forcing them to resort to telephone calls. The strength of support for NPT constructs varied; many participants understood and appreciated the role of PR and could make sense of the innovation (NPT-1), and most were assessing the potential of a PR service in Bangladesh to decide if it was worthwhile (NPT-4). Participants were not yet ready to endorse or actively support (NPT-2) or operationalise (NPT-3) the roll-out of PR.

    CONCLUSIONS: A home PR programme, supported by remote supervision and monitoring, is feasible in Bangladesh, but local evidence will be needed to promote implementation.

  4. The supplementation of levothyroxine among indigenous people in endemic goitre areas: The impact of therapy
    Zaleha MI, Osman A, Iskandar ZA, Sazali S, Ali MM, Roslan I, et al.
    Asia Pac J Clin Nutr, 1998 Jun;7(2):138-50.
    PMID: 24393641
    In order to study the effect of levothyroxine in the treatment of endemic goitre, a longitudinal study was conducted among the Aborigines in Lanai Post and Sinderut Post, situated in an iodine-deficient area located in the district of Kuala Lipis, Pahang. All subjects in the treatment group (Lanai Post) were given 100 µg of levothyroxine per day and were followed for 1 1/2 years. A total of 311 subjects were examined at baseline, 323 on the first, 256 on the second, 239 on the third and 184 on the fourth visit following levothyroxine supplementation. Goitre prevalence, thyroid hormones, thyroid volume, nutritional status, urinary iodine levels, arterial blood pressure and mental performance were determined. Following the intervention, goitre prevalence was significantly reduced in the treatment group (baseline 42.8% vs final visit 13.0%, p<0.0001); however, no significant difference was noted in the control group. Total T4 levels were increased in the treatment group (p<0.0001), while a significant reduction was noted in the control group (p<0.0001). Thyroid-stimulating hormone levels increased significantly in the treatment group following 1 year of intervention, while no significant changes were observed in the control group. As for the thyroid volume, both groups showed a significant increment following the intervention (p<0.0001). With respect to the nutritional status, the treatment group showed a significant increase in body weight following the intervention (p<0.05). In addition, the mid-arm circumference and body mass index also increased after 1 year of intervention. However, the control group showed a reduction in the waist-hip ratio (p<0.0001). Although there was no statistical difference in the waist-hip ratio in the treatment group, there has been a significant reduction observed after 1 year of intervention. At 1 year, a reduction in skinfold thickness was noted in the treatment group while only the triceps and subscapular were increased in the control group. The body fat was decreased in the treatment group following 1 year of intervention (p<0.0001). No particular trend was noted in the urinary iodine excretion in the treatment group, but surprisingly, the levels were increased in the control group (p<0.0001). A significant increase in both systolic and diastolic blood pressures was observed in the treatment group following 1 year of intervention, but the controls showed a reduction in the systolic blood pressure (p<0.0001). Both groups showed a remarkable increase in mental performance, with a more pronounced effect in the treatment group (p<0.05). The correction of iodine deficiency by levothyroxine supplementation has a short-term beneficial effect in reducing the prevalence of goitre and improving the mental ability among the Aborigines in endemic areas; however, proper monitoring and close supervision are needed to maintain compliance.
  5. Fulltext Access and knowledge of contraceptives and unmet need for family planning in Pakistan
    Asif MF, Ali M, Abbas HG, Ishfaq T, Ali S, Abid G, et al.
    BMC Womens Health, 2024 Dec 21;24(1):651.
    PMID: 39709374 DOI: 10.1186/s12905-024-03495-0
    BACKGROUND: Family planning facilities provide an extensive choice of assistance that is beneficial for women and the society. It may limit the fatality risk for mothers and babies by reducing the rate of pregnancies and abortions. The Government of Pakistan has been continuously trying to persuade the people about the importance of family planning. The accomplishment of these programs depends upon various aspects associated with the knowledge, availability, and access to contraceptives. This paper has investigated the effect of knowledge and access to contraceptives on the unmet need for family planning (UMNFP) among married women of reproductive age (MWRA) in Pakistan.

    METHOD: The comprehensive dataset of the Pakistan Demographic and Health Survey 2017-18 has been used to investigate the effect of knowledge and access to contraceptives on UMNFP among MWRA in Pakistan by applying Multivariable Logistic regression.

    RESULTS: The prevelance of UMNFP is higher among MWRA of 25 to 34 years than other age groups. The likelihood of UMNFP decreases with increase in education above the primary level. The prevalence of UMNFP is found higher among women who belong to the poorer wealth quintile than the women of the poorest wealth quintile. The odds of UMNFP are considerably low among women belonging to the richer and richest wealth quintile, compared to the women of the poorest wealth quintile. Women's participation in decision making for not using contraceptives is a significant factor to reduce UMNFP. The odds of UMNFP are higher among those women who have no knowledge and lack of access to contraceptives compared to those who have knowledge and access to contraceptives.

    CONCLUSIONS: Both knowledge and access to contraceptives are important factors to determine UMNFP. The government should initiate programs to disseminate knowledge as well as provision of contraceptives for effective family planning.

  6. Fulltext Therapeutic effects of quercetin in oral cancer therapy: a systematic review of preclinical evidence focused on oxidative damage, apoptosis and anti-metastasis
    Saadh MJ, Ahmed HH, Chandra M, Al-Hussainy AF, Hamid JA, Mishra A, et al.
    Cancer Cell Int, 2025 Feb 24;25(1):66.
    PMID: 39994659 DOI: 10.1186/s12935-025-03694-1
    OBJECTIVE: Oral malignancies are among the common head and neck cancers. Various therapeutic modalities are used for targeting oral cancers. It was shown that quercetin (a flavonoid) has an anti-cancer effect on different cancers. In the current study, the anti-cancer potentials of quercetin against oral cancer cells were summarized.

    METHODS: The current systematic review was conducted in accordance with the PRISMA guideline for the identification of relevant studies in various electronic databases up to April 2023. After reviewing and screening 193 articles, 18 were chosen for this study based on our inclusion and exclusion criteria.

    RESULTS: It was shown that quercetin significantly reduced cancer cell proliferation, cell viability, tumor volume, invasion, metastasis and migration. This anti-cancer agent induced oxidative stress and apoptosis in the cancer cells. Quercetin treatment could also induce some biochemical alterations in the cancer cells.

    CONCLUSION: According to the results, it can be mentioned that quercetin administration has an anti-cancer effect against oral cancer cells. This agent exerts its anticancer effects via reduced cell viability and different mechanisms, including induce oxidative damage, apoptosis, and reduced invasion and metastasis. However, suggesting the use of quercetin as a therapeutic agent of oral cancer patients requires further clinical studies due to its poor absorption rates, and the exact molecular mechanisms are still not well understood.

  7. Fulltext High proportion of knowlesi malaria in recent malaria cases in Malaysia
    Yusof R, Lau YL, Mahmud R, Fong MY, Jelip J, Ngian HU, et al.
    Malar J, 2014;13:168.
    PMID: 24886266 DOI: 10.1186/1475-2875-13-168
    Plasmodium knowlesi is a simian parasite that has been recognized as the fifth species causing human malaria. Naturally-acquired P. knowlesi infection is widespread among human populations in Southeast Asia. The aim of this epidemiological study was to determine the incidence and distribution of malaria parasites, with a particular focus on human P. knowlesi infection in Malaysia.
  8. Fulltext Antituberculosis: synthesis and antimycobacterial activity of novel benzimidazole derivatives
    Keng Yoon Y, Ashraf Ali M, Choon TS, Ismail R, Chee Wei A, Suresh Kumar R, et al.
    Biomed Res Int, 2013;2013:926309.
    PMID: 24381946 DOI: 10.1155/2013/926309
    A total of seven novel benzimidazoles were synthesized by a 4-step reaction starting from 4-fluoro-3-nitrobenzoic acid under relatively mild reaction conditions. The synthesized compounds were screened for their antimycobacterial activity against M. tuberculosis H₃₇Rv (MTB-H₃₇Rv) and INH-resistant M. tuberculosis (INHR-MTB) strains using agar dilution method. Three of them displayed good activity with MIC of less than 0.2 μM. Compound ethyl 1-(2-(4-(4-(ethoxycarbonyl)-2-aminophenyl)piperazin-1-yl)ethyl)-2-(4-(5-(4-fluorophenyl)pyridin-3-ylphenyl-1H-benzo[d]imidazole-5-carboxylate (5 g) was found to be the most active with MIC of 0.112 μM against MTB-H₃₇Rv and 6.12 μM against INHR-MTB, respectively.
  9. Fulltext Usage of traditional and complementary medicine (T & CM): Prevalence, practice and perception among post stroke patients attending conventional stroke rehabilitation in a teaching hospital in Malaysia
    Ali MF, Abdul Aziz AF, Rashid MR, Che Man Z, Amir AA, Lim YS, et al.
    Med J Malaysia, 2015 Feb;70(1):18-23.
    PMID: 26032524
    INTRODUCTION: The lack of evidence that proves the benefit of traditional and complementary medicines (T & CM) in treating chronic medical conditions does not deter its usage among patients worldwide. Prevalence of usage among post-stroke patients in Malaysia especially is unknown. This study aims to determine the prevalence, practice and perception of T & CM use among stroke survivors attending an outpatient rehabilitation program in a teaching hospital.
    METHODS: A cross-sectional study was conducted among 104 post stroke patients attending an outpatient rehabilitation program. A structured self-administered questionnaire was used to collect data on sociodemographic and clinical profile of patients, as well as types of therapy used and perception on T & CM usage. Descriptive analysis was done, and bivariate analysis was used to determine associations between categorical data.
    RESULTS: Mean age of patients was 62 years (SD 12.2), 54% were Chinese and 75% of the patients had ischaemic stroke. Mean age of T & CM users was younger compared to non- T & CM users (61 years vs. 66 years, p=0.04). Two-thirds (66%) of patients admitted to concurrent T & CM usage while attending conventional post stroke rehabilitation. Acupuncture (40.4%), massage (40.4%) and traditional Chinese medicine (11.5%) were the most common T & CM used. Positive perception was recorded in terms of ability of T & CM usage to relieve post stroke symptoms (68%), and it was safe to use because it was made from 'natural sources'. Negative perception recorded: T & CM caused significant adverse effects (57.6%) and was not safe to be used in combination with other conventional medicines (62.5%).
    CONCLUSIONS: Concurrent T & CM usage among post-stroke patients attending structured outpatient rehabilitation program is widely practised especially acupuncture, massage and traditional Chinese medicines. Overall the perception towards its use is favourable.
    Study site: Medical Rehabilitation Services Department, Perubatan Universiti Kebangsaan Malaysia (PPUKM), Kuala Lumpur, Malaysia
  10. Novel 2,5-disubtituted-1,3,4-oxadiazoles with benzimidazole backbone: a new class of β-glucuronidase inhibitors and in silico studies
    Zawawi NK, Taha M, Ahmat N, Wadood A, Ismail NH, Rahim F, et al.
    Bioorg Med Chem, 2015 Jul 1;23(13):3119-25.
    PMID: 26001340 DOI: 10.1016/j.bmc.2015.04.081
    A library of novel 2,5-disubtituted-1,3,4-oxadiazoles with benzimidazole backbone (3a-3r) was synthesized and evaluated for their potential as β-glucuronidase inhibitors. Several compounds such as 3a-3d, 3e-3j, 3l-3o, 3q and 3r showed excellent inhibitory potentials much better than the standard (IC50=48.4±1.25μM: d-saccharic acid 1,4-lactone). All the synthesized compounds were characterized satisfactorily by using different spectroscopic methods. We further evaluated the interaction of the active compounds and the enzyme active site with the help of docking studies.
  11. Fulltext Synthesis, spectroscopic investigations (X-ray, NMR and TD-DFT), antimicrobial activity and molecular docking of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone
    Barakat A, Ghabbour HA, Al-Majid AM, Soliman SM, Ali M, Mabkhot YN, et al.
    Molecules, 2015;20(7):13240-63.
    PMID: 26197312 DOI: 10.3390/molecules200713240
    The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated.
  12. Fulltext Structural and spectral investigations of the recently synthesized chalcone (E)-3-mesityl-1-(naphthalen-2-yl) prop-2-en-1-one, a potential chemotherapeutic agent
    Barakat A, Al-Majid AM, Soliman SM, Mabkhot YN, Ali M, Ghabbour HA, et al.
    Chem Cent J, 2015;9:35.
    PMID: 26106444 DOI: 10.1186/s13065-015-0112-5
    Chalcones (1,3-diaryl-2-propen-1-ones, represent an important subgroup of the polyphenolic family, which have shown a wide spectrum of medical and industrial application. Due to their redundancy in plants and ease of preparation, this category of molecules has inspired considerable attention for potential therapeutic uses. They are also effective in vivo as anti-tumor promoting, cell proliferating inhibitors and chemo preventing agents.
  13. Synthesis of benzimidazole derivatives as potent β-glucuronidase inhibitors
    Taha M, Ismail NH, Imran S, Selvaraj M, Rashwan H, Farhanah FU, et al.
    Bioorg Chem, 2015 Aug;61:36-44.
    PMID: 26073618 DOI: 10.1016/j.bioorg.2015.05.010
    Twenty five 4, 6-dichlorobenzimidazole derivatives (1-25) have been synthesized and evaluated against β-glucuronidase inhibitory activity. The compounds which actively inhibit β-glucuronidase activity have IC50 values ranging between 4.48 and 46.12 μM and showing better than standard d-saccharic acid 1,4 lactone (IC50=48.4 ± 1.25 μM). Molecular docking provided potential clues to identify interactions between the active molecules and the enzyme which further led us to identify plausible binding mode of all the benzimidazole derivatives. This study confirmed that presence of hydrophilic moieties is crucial to inhibit the human β-glucuronidase.
  14. Synthesis and discovery of novel hexacyclic cage compounds as inhibitors of acetylcholinesterase
    Suresh Kumar R, Ashraf Ali M, Osman H, Ismail R, Choon TS, Yoon YK, et al.
    Bioorg Med Chem Lett, 2011 Jul 1;21(13):3997-4000.
    PMID: 21621414 DOI: 10.1016/j.bmcl.2011.05.003
    Hexacyclic derivatives share vital pharmacological properties, considered useful in Alzheimer's disease. The aim of this study was synthesis and its evaluation for acetyl cholinesterase inhibitory activity of novel hexacyclic analogues. Compound 4f, showed potent inhibitory activity against acetyl cholinesterase enzyme with IC(50) 0.72 μmol/L.
  15. AChE inhibitor: a regio- and stereo-selective 1,3-dipolar cycloaddition for the synthesis of novel substituted 5,6-dimethoxy spiro[5.3']-oxindole-spiro-[6.3″]-2,3-dihydro-1H-inden-1″-one-7-(substituted aryl)-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole
    Ashraf Ali M, Ismail R, Choon TS, Kumar RS, Osman H, Arumugam N, et al.
    Bioorg Med Chem Lett, 2012 Jan 1;22(1):508-11.
    PMID: 22142546 DOI: 10.1016/j.bmcl.2011.10.087
    Pyrrolothiazolyloxindole analogues share vital pharmacological properties, considered useful in Alzheimer's disease (AD). The aim of this study was synthesis and evaluate pyralothiazolyloxindole analogues if possess acetyl cholinesterase (AChE) inhibitory activity. The easily accessible one-pot synthesis of these compounds resulted to be significantly less difficult and expensive than that of donepezil. Several compounds possess anti-cholinesterase activity in the order of micro and sub-micromolar. Particularly, compound was the most potent inhibitors of the series against acetyl cholinesterase enzyme with IC(50) 0.11μmol/L.
  16. Fulltext Clay Ceramic Waste as Pozzolan Constituent in Cement for Structural Concrete
    Barreto EDS, Stafanato KV, Marvila MT, de Azevedo ARG, Ali M, Pereira RML, et al.
    Materials (Basel), 2021 May 28;14(11).
    PMID: 34071522 DOI: 10.3390/ma14112917
    Ceramic-based wastes generated from different industrial activities have increasingly been reused as construction material incorporated into concrete. In general, these wastes just replace common concrete aggregates such as sand and gravel. In the present work, waste from clay brick industries composted of kaolinite minerals were for the first time evaluated for their potential to be reused as the pozzolan constituent of a cement for structural concrete. Initial standard testes revealed that the clay ceramic waste (CCW) displays high pozzolanicity. Concrete was then produced with 10 and 20 wt.% of CCW mixed with ordinary Portland cement (OPC) as its pozzolan constituent. Compression strength of these concretes and of pure OPC as a control sample were determined in standard tests after 14 and 28 days of curing. In addition, the corresponding density, water absorption, capillarity and percentage of voids were measured together with the evaluation of microstructural indices by scanning electron microscopy. The initial tests confirmed that the CCW is indeed an effective pozzolanic potential due to a chemical effect by reacting with CH to generate C-S-H. Moreover, the technological results proved that CCW might effectively replace the pozzolan cement constituent for structural concrete.
  17. Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico studies on ibuprofen derivatives
    Seraj F, Kanwal, Khan KM, Khan A, Ali M, Khalil R, et al.
    Mol Divers, 2021 Feb;25(1):143-157.
    PMID: 31965436 DOI: 10.1007/s11030-019-10032-x
    Novel ibuprofen derivatives 1-19 including ibuprofen hydrazide 1, and substituted thiourea derivatives 2-19 were synthesized and characterized by EI-MS, FAB-MS, HREI-MS, HRFAB-MS, 1H-, and 13C-NMR spectroscopic techniques. The synthetic molecules 1-19 were examined for their in vitro urease inhibition and were found to display a diversified degree of inhibitory potential in the range of IC50 = 2.96-178 μM as compared to the standard thiourea (IC50 = 21.32 ± 0.22 μM). Out of nineteen, thirteen derivatives 2-4, 6, 7, 9, 11-15, 17, and 18 demonstrated remarkable inhibitory activity with IC50 values of 2.96 ± 1.11 to 16.1 ± 1.07 μM, compound 5 exhibited moderate inhibition with IC50 value of 37.3 ± 0.41 μM, whereas, compounds 1, 8, and 10 demonstrated weak inhibition against urease enzyme. Almost all structural features are participating in the activity; however, limited structure-activity relationship was discussed on the basis of different structural features, i.e., different functional groups and their positions at aryl part. In addition, molecular docking study was performed in order to understand the ligands binding interactions with the active site of urease enzyme.
  18. In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase
    Taha M, Ismail NH, Imran S, Rahim F, Wadood A, Al Muqarrabun LM, et al.
    Bioorg Chem, 2016 10;68:80-9.
    PMID: 27474803 DOI: 10.1016/j.bioorg.2016.07.010
    Thymidine phosphorylase (TP) is up regulated in wide variety of solid tumors and therefore presents a remarkable target for drug discovery in cancer. A novel class of extremely potent TPase inhibitors based on benzopyrazine (1-28) has been developed and evaluated against thymidine phosphorylase enzyme. Out of these twenty-eight analogs eleven (11) compounds 1, 4, 14, 15, 16, 17, 18, 19, 20, 24 and 28 showed potent thymidine phosphorylase inhibitory potentials with IC50 values ranged between 3.20±0.30 and 37.60±1.15μM when compared with the standard 7-Deazaxanthine (IC50=38.68±4.42μM). Structure-activity relationship was established and molecular docking studies were performed to determine the binding interactions of these newly synthesized compounds. Current studies have revealed that these compounds established stronger hydrogen bonding networks with active site residues as compare to the standard compound 7DX.
  19. Fulltext Higher fish but lower micronutrient intakes: Temporal changes in fish consumption from capture fisheries and aquaculture in Bangladesh
    Bogard JR, Farook S, Marks GC, Waid J, Belton B, Ali M, et al.
    PLoS One, 2017;12(4):e0175098.
    PMID: 28384232 DOI: 10.1371/journal.pone.0175098
    Malnutrition is one of the biggest challenges of the 21st century, with one in three people in the world malnourished, combined with poor diets being the leading cause of the global burden of disease. Fish is an under-recognised and undervalued source of micronutrients, which could play a more significant role in addressing this global challenge. With rising pressures on capture fisheries, demand is increasingly being met from aquaculture. However, aquaculture systems are designed to maximise productivity, with little consideration for nutritional quality of fish produced. A global shift away from diverse capture species towards consumption of few farmed species, has implications for diet quality that are yet to be fully explored. Bangladesh provides a useful case study of this transition, as fish is the most important animal-source food in diets, and is increasingly supplied from aquaculture. We conducted a temporal analysis of fish consumption and nutrient intakes from fish in Bangladesh, using nationally representative household expenditure surveys from 1991, 2000 and 2010 (n = 25,425 households), combined with detailed species-level nutrient composition data. Fish consumption increased by 30% from 1991-2010. Consumption of non-farmed species declined by 33% over this period, compensated (in terms of quantity) by large increases in consumption of farmed species. Despite increased total fish consumption, there were significant decreases in iron and calcium intakes from fish (P<0.01); and no significant change in intakes of zinc, vitamin A and vitamin B12 from fish, reflecting lower overall nutritional quality of fish available for consumption over time. Our results challenge the conventional narrative that increases in food supply lead to improvements in diet and nutrition. As aquaculture becomes an increasingly important food source, it must embrace a nutrition-sensitive approach, moving beyond maximising productivity to also consider nutritional quality. Doing so will optimise the complementary role that aquaculture and capture fisheries play in improving nutrition and health.
  20. Selective dual cholinesterase inhibitors from Aconitum laeve
    Ahmad H, Ahmad S, Shah SAA, Khan HU, Khan FA, Ali M, et al.
    J Asian Nat Prod Res, 2018 Feb;20(2):172-181.
    PMID: 28463565 DOI: 10.1080/10286020.2017.1319820
    New lycoctonine-type dual cholinesterase inhibitor, swatinine-C (1), along with three known norditerpenoid alkaloids, hohenackerine (2), aconorine (5) and lappaconitine (6) and two synthetically known but phytochemically new benzene derivatives, methyl 2-acetamidobenzoate (3) and methyl 4-[2-(methoxycarbonyl)anilino]-4-oxobutanoate (4), was isolated from the roots of A. laeve. Structures of new and known compounds (1-6) were established on the basis of latest spectroscopic techniques and by close comparison with the data available in literature. In vitro, compounds (1-6) were tested against AChE and BChE inhibitory activities. Compounds 1 and 2 showed competitive inhibition against AChE (IC50 = 3.7 μM, 4.53 μM) and BChE (IC50 = 12.23 μM, 9.94 μM), respectively. Compounds 5 and 6 showed promising noncompetitive type of inhibitory profile against AChE (IC50 = 2.51 and 6.13 μM) only. Compounds 3 and 4 showed weak inhibitory profile against both AChE and BChE.
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