Biology subjects

Gazi, M. S.

Publications and source records attributed to Gazi, M. S..

2 recordsLinked to original sources

bioRxiv2024

Computational screening of potential AT1R inhibitors from Nigella sativa for diabetic-hypertensive therapy

Hypertension, frequently coexists with Type 2 diabetes mellitus, causes due to Angiotensin II. Inhibiting Angiotensin II by targeting AT1R can potentially improve hypertension-related complications in patients with T2DM. In this study, we perform an in-silico screening based on molecular docking and molecular dynamic of 305 compounds of Nigella sativa against Angiotensin-II Type1 Receptor (AT1R). Molecular docking studies were conducted to investigate the binding affinities of the selected ligands with the target receptor and compared against the Losartan (control drug). Top 5 ligands were selected based on binding affinity. Subsequently, we conducted an ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiling to assess their pharmacokinetic and safety profiles. Our findings revealed two promising ligands Beta-amyrin (CID-73145) and Taraxerol (CID-92097), which exhibited strong binding affinities and favorable pharmacological profiles with no signs of acute toxicity. The molecular dynamic simulations (MD) including RMSD, RMSF, and MMGBSA binding free energy results showed that selected two ligands bind to AT1R more proficiently with good stability over 100 ns. The computational study serves as a foundational basis for subsequent laboratory and clinical research aimed at identifying selective, potent, and less toxic diabetic-hypertensive therapy targeting AT1R. O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=110 SRC="FIGDIR/small/610463v1_ufig1.gif" ALT="Figure 1"> View larger version (22K): org.highwire.dtl.DTLVardef@1b3fdf8org.highwire.dtl.DTLVardef@1e6dafforg.highwire.dtl.DTLVardef@133afd0org.highwire.dtl.DTLVardef@5b93c4_HPS_FORMAT_FIGEXP M_FIG C_FIG

bioinformatics↗

bioRxiv2020

Microbiological water quality of Managed Aquifer Recharge systems in the salinity-prone southwest coastal Bangladesh

Managed aquifer recharge (MAR), a hydro-geological intervention designed to dilute groundwater salinity, pumps pond water treated through a slow sand filter into the underground aquifers. We evaluated the microbiological safety of the resulting MAR water at sites from three districts in southwest coastal Bangladesh. We collected monthly paired pond-MAR water samples from July 2016-June 2017 and enumerated fecal coliforms and E. coli using the IDEXX quanti-tray technique, by the most probable number (MPN) method. We used WHO risk categories for microbiological quality; no risk (<1 MPN), low risk (1-10 MPN) and moderate to high risk (>10 MPN per 100 mL water). We estimated the difference in mean log10 MPN in pond and MAR water using linear mixed effect models with random intercepts and cluster adjusted robust standard error. Almost all pond water samples (292/299, 98%) had moderate- to high-risk level (>10 MPN) fecal coliforms and E. coli (283/299, 95%). In contrast, 81% (242/300) of MAR water samples had no or low risk level fecal coliforms (0-10 MPN), of which 60% (179/300) had no fecal coliforms. We detected no or low risk level E. coli in 94% (283/300) of MAR water samples of these 80% (240/300) had no E. coli. MAR samples had lower mean log10 MPN fecal coliforms (-2.37; 95% CI: -2.56, -2.19) and E. coli (-2.26; 95% CI: - 2.43, -2.09) than pond water; microbial reductions remained consistent during the wet (May-October) and dry seasons. MAR-systems provided water with reduced fecal indicator bacteria compared to infiltered pond water.

microbiology↗