Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease M Ouassaf, S Belaidi, S Chtita, T Lanez, F Abul Qais, H Md Amiruddin Journal of Biomolecular Structure and Dynamics 40 (21), 11264-11273, 2022 | 52 | 2022 |
Catalytic roles, immobilization and management of recalcitrant environmental pollutants by laccases: Significance in sustainable green chemistry SFF Zofair, S Ahmad, MA Hashmi, SH Khan, MA Khan, H Younus Journal of Environmental Management 309, 114676, 2022 | 40 | 2022 |
Interaction of mancozeb with human hemoglobin: Spectroscopic, molecular docking and molecular dynamic simulation studies R Quds, MA Hashmi, Z Iqbal, R Mahmood Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 280, 121503, 2022 | 27 | 2022 |
Synergistic fungicidal activity with low doses of eugenol and amphotericin B against Candida albicans SN Khan, S Khan, L Misba, M Sharief, A Hashmi, AU Khan Biochemical and Biophysical Research Communications 518 (3), 459-464, 2019 | 27 | 2019 |
Computational studies on phylogeny and drug designing using molecular simulations for COVID-19 F Nabi, O Ahmad, YA Khan, A Nabi, H Md Amiruddin, F Abul Qais, ... Journal of Biomolecular Structure and Dynamics 40 (21), 10753-10762, 2022 | 25 | 2022 |
Effective inhibition and eradication of pathogenic biofilms by titanium dioxide nanoparticles synthesized using Carum copticum extract M Altaf, MT Zeyad, MA Hashmi, S Manoharadas, SA Hussain, ... Rsc Advances 11 (31), 19248-19257, 2021 | 23 | 2021 |
Elucidation of kinetic and structural properties of eye lens ζ-crystallin: an in vitro and in silico approach Md Amiruddin Hashmi, Ajamaluddin Malik, Abdullah Arsalan, Masood Alam Khan ... Journal of Biomolecular Structure and Dynamics, 1-15, 2021 | 22* | 2021 |
A comparative study based on activity, conformation and computational analysis on the inhibition of human salivary aldehyde dehydrogenase by phthalate plasticizers … S Ahmad, A Arsalan, A Hashmi, MA Khan, WA Siddiqui, H Younus Toxicology 462, 152947, 2021 | 18 | 2021 |
QSAR modeling, molecular docking, ADMET prediction and molecular dynamics simulations of some 6-arylquinazolin-4-amine derivatives as DYRK1A inhibitors S Khamouli, S Belaidi, M Bakhouch, S Chtita, MA Hashmi, FA Qais Journal of Molecular Structure 1258, 132659, 2022 | 17 | 2022 |
In-Silico Analysis of Phytocompounds of Olea europaea as Potential Anti-Cancer Agents to Target PKM2 Protein FA Qais, SY Alomar, MA Imran, MA Hashmi Molecules 27 (18), 5793, 2022 | 13 | 2022 |
Citral inhibition of human salivary aldehyde dehydrogenase AA Laskar, MA Khan, S Ahmad, A Hashmi, H Younus Cell Biochemistry and Biophysics 78, 31-42, 2020 | 10 | 2020 |
Biophysical investigation of the interaction between NSAID ibuprofen and cationic biodegradable Cm-E2O2-Cm gemini surfactants M Akram, M Osama, H Lal, M Salim, MA Hashmi, K Din Journal of Molecular Liquids 370, 120972, 2023 | 9 | 2023 |
Multicomponent Petasis reaction for the identification of pyrazine based multi-target directed anti-Alzheimer's agents: In-silico design, synthesis, and characterization H Madhav, SA Abdel-Rahman, MA Hashmi, MA Rahman, M Rehan, K Pal, ... European Journal of Medicinal Chemistry 254, 115354, 2023 | 8 | 2023 |
Effect of Date Palm (Phoenix dactylifera) Phytochemicals on Aβ1−40 Amyloid Formation: An in-silico Analysis Q Zia, MT Rehman, MA Hashmi, S Siddiqui, A Bin Dukhyil, MZ Ahmed, ... Frontiers in Neuroscience 16, 915122, 2022 | 8 | 2022 |
Rutin impedes human low-density lipoprotein from non-enzymatic glycation: A mechanistic insight against diabetes-related disorders MJ Wani, KA Salman, MA Hashmi, S Siddiqui, S Moin International Journal of Biological Macromolecules 238, 124151, 2023 | 7 | 2023 |
Multifunctional aspartic based MOF for reduction of methyl orange and antimicrobial activity A Shahzaib, Shaily, I Ahmad, MA Hashmi, MA Khan, N Nishat Catalysis Letters 154 (4), 1567-1578, 2024 | 6 | 2024 |
Design of Acetylcholinesterase Inhibitors as Promising Anti‐Alzheimer's Agents Based on QSAR, Molecular Docking, and Molecular Dynamics Studies of Liquiritigenin Derivatives H Nour, MA Hashmi, S Belaidi, A Errougui, M El Kouali, M Talbi, S Chtita ChemistrySelect 8 (32), e202301466, 2023 | 6 | 2023 |
Activation of yeast alcohol dehydrogenase in the presence of citrate stabilized gold nanoparticles: An insight into its interaction and modulation mechanism A Arsalan, MA Hashmi, SFF Zofair, S Ahmad, MA Khan, H Younus Journal of Molecular Liquids 330, 115633, 2021 | 6 | 2021 |
Interaction of the insecticide bioallethrin with human hemoglobin: biophysical, in silico and enzymatic studies A Arif, MA Hashmi, S Salam, H Younus, R Mahmood Journal of Biomolecular Structure and Dynamics 41 (14), 6591-6602, 2023 | 5 | 2023 |
Synergistic effect of chlorogenic acid and vitamin D3 (cholecalciferol) on in-vitro glycation may assist in prevention of Polycystic Ovarian Syndrome (PCOS) progression-A … S Siddiqui, S Riaz, R Ahmad, MJ Wani, MA Hashmi, SFF Zofair, S Mateen, ... International Journal of Biological Macromolecules 245, 125497, 2023 | 4 | 2023 |