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  1. Rahman MB, Salam R, Islam ARMT, Tasnuva A, Haque U, Shahid S, et al.
    Theor Appl Climatol, 2021;146(1-2):125-138.
    PMID: 34334853 DOI: 10.1007/s00704-021-03705-x
    Climate change-derived extreme heat phenomena are one of the major concerns across the globe, including Bangladesh. The appraisal of historical spatiotemporal changes and possible future changes in heat index (HI) is essential for developing heat stress mitigation strategies. However, the climate-health nexus studies in Bangladesh are very limited. This study was intended to appraise the historical and projected changes in HI in Bangladesh. The HI was computed from daily dry bulb temperature and relative humidity. The modified Mann-Kendal (MMK) test and linear regression were used to detect trends in HI for the observed period (1985-2015). The future change in HI was projected for the mid-century (2041-2070) for three Representative Concentration Pathway (RCP) scenarios, RCP 2.6, 4.5, and 8.5 using the Canadian Earth System Model Second Generation (CanESM2). The results revealed a monotonic rise in the HI and extreme caution conditions, especially in the humid summer season for most parts of Bangladesh for the observed period (1985-2015). Future projections revealed a continuous rise in HI in the forthcoming period (2041-2070). A higher and remarkable increase in the HI was projected in the northern, northeastern, and south-central regions. Among the three scenarios, the RCP 8.5 showed a higher projection of HI both in hot and humid summer compared to the other scenarios. Therefore, Bangladesh should take region-specific adaptation strategies to mitigate the impacts of HI.

    Supplementary Information: The online version contains supplementary material available at 10.1007/s00704-021-03705-x.

  2. Dutta M, Tareq AM, Rakib A, Mahmud S, Sami SA, Mallick J, et al.
    Biology (Basel), 2021 Aug 17;10(8).
    PMID: 34440024 DOI: 10.3390/biology10080789
    Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a contemporary coronavirus, has impacted global economic activity and has a high transmission rate. As a result of the virus's severe medical effects, developing effective vaccinations is vital. Plant-derived metabolites have been discovered as potential SARS-CoV-2 inhibitors. The SARS-CoV-2 main protease (Mpro) is a target for therapeutic research because of its highly conserved protein sequence. Gas chromatography-mass spectrometry (GC-MS) and molecular docking were used to screen 34 compounds identified from Leucas zeylanica for potential inhibitory activity against the SARS-CoV-2 Mpro. In addition, prime molecular mechanics-generalized Born surface area (MM-GBSA) was used to screen the compound dataset using a molecular dynamics simulation. From molecular docking analysis, 26 compounds were capable of interaction with the SARS-CoV-2 Mpro, while three compounds, namely 11-oxa-dispiro[4.0.4.1]undecan-1-ol (-5.755 kcal/mol), azetidin-2-one 3,3-dimethyl-4-(1-aminoethyl) (-5.39 kcal/mol), and lorazepam, 2TMS derivative (-5.246 kcal/mol), exhibited the highest docking scores. These three ligands were assessed by MM-GBSA, which revealed that they bind with the necessary Mpro amino acids in the catalytic groove to cause protein inhibition, including Ser144, Cys145, and His41. The molecular dynamics simulation confirmed the complex rigidity and stability of the docked ligand-Mpro complexes based on the analysis of mean radical variations, root-mean-square fluctuations, solvent-accessible surface area, radius of gyration, and hydrogen bond formation. The study of the postmolecular dynamics confirmation also confirmed that lorazepam, 11-oxa-dispiro[4.0.4.1]undecan-1-ol, and azetidin-2-one-3, 3-dimethyl-4-(1-aminoethyl) interact with similar Mpro binding pockets. The results of our computerized drug design approach may assist in the fight against SARS-CoV-2.
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