👤 Md Moniruzzaman

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Asmim Aktar, Shahina Akhter, Md Enamul Kabir Talukder +7 more · 2025 · Computers in biology and medicine · Elsevier · added 2026-04-24
Eichhornia crassipes (Mart.) Solms, also known as Pontederia crassipes Mart, has traditionally been used for its sedative, antipsychotic, and memory-enhancing properties. However, its effects against Show more
Eichhornia crassipes (Mart.) Solms, also known as Pontederia crassipes Mart, has traditionally been used for its sedative, antipsychotic, and memory-enhancing properties. However, its effects against Alzheimer's disease (AD) remain unexplored. Therefore, this study aimed to investigate the in vitro anti-AD properties of methanol (MEECF), ethanol (EEECF), and ethyl acetate (EAEECF) extracts of E. crassipes flowers and to identify potential multi-modal anti-AD phytocompounds using computational drug discovery targeting acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and beta-site amyloid precursor protein cleaving enzyme-1 (BACE-1). Initially, 204 phytocompounds were metabolically annotated through GC-MS analysis of the extracts, and their functional groups and chemical nature were identified using PPS and FT-IR analysis, respectively. Molecular docking identified two hit phytocompounds (CID 4970, fumarine, and CID 106962, cyclopentanemethanamine, 5-amino-2,2,4-trimethyl-) in MEECF and EEECF, which exhibited higher binding affinities toward all targets compared to the control drug donepezil (-5.721 kcal/mol). Further molecular analysis revealed favorable pharmacokinetics, drug-likeness, and no toxicity for these two phytocompounds. Molecular dynamics simulation confirmed their binding stability to the active sites of AChE, BChE, and BACE-1, exhibiting multi-modal inhibitory activity. MEECF, EEECF, and EAEECF showed concentration-dependent antioxidant and AChE and BChE inhibition, supporting the in silico results regarding oxidative stress and cholinergic pathways. These findings suggest the anti-AD potential of E. crassipes flowers, with fumarine and cyclopentanemethanamine, 5-amino-2, 2, 4-trimethyl- identified as multi-modal inhibitors of AChE, BChE, and BACE-1. However, further in vivo research is required to comprehensively evaluate their efficacy in combating AD. Show less
no PDF DOI: 10.1016/j.compbiomed.2025.110973
BACE1
Hazzaz Bin Hassan, Md Moniruzzaman, Ratan Kumar Majumder +4 more · 2023 · Heliyon · Elsevier · added 2026-04-24
Surface water pollution caused by the discharge of effluents from industrial estates has become a major concern for Dhaka (Bangladesh). This study aims to have a concise look at the severe river water Show more
Surface water pollution caused by the discharge of effluents from industrial estates has become a major concern for Dhaka (Bangladesh). This study aims to have a concise look at the severe river water pollution, mainly from effluents discharged from the tannery village. Effluent samples were collected from five ejected points, including the central effluent treatment plant (CETP), twenty adjacent river water, and two pond water nearby Hemayetpur, Savar. Thirty-one parameters have been observed at these sampling points for three seasons, from April 2021 to January 2022. The results obtained from water quality indices, i.e., water quality index (WQI), entropy water quality index (EWQI), and irrigation water quality index (IWQI), show that most studied surface water samples ranked "unsuitable" for consumption, irrigation, and anthropogenic purposes. The highest health risk was observed downstream of Hemayetpur city at the Savar CETP discharge site, indicating higher levels of heavy metal in the river water following the tannery village. Carcinogenic and non-carcinogenic human health risks could be triggered mainly by water consumption as concentrations of arsenic (As), chromium (Cr), nickel (Ni), and lead (Pb) exceeded the upper benchmark of 1 × 10 Show less
📄 PDF DOI: 10.1016/j.heliyon.2023.e18171
CETP