| Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro S Bharadwaj, A Dubey, U Yadava, SK Mishra, SG Kang, VD Dwivedi Briefings in bioinformatics 22 (2), 1361-1377, 2021 | 176 | 2021 |
| Cobalt (II), nickel (II), copper (II) and zinc (II) complexes of thiadiazole based Schiff base ligands: Synthesis, structural characterization, DFT, antidiabetic and molecular … Y Deswal, S Asija, A Dubey, L Deswal, D Kumar, DK Jindal, J Devi Journal of Molecular Structure 1253, 132266, 2022 | 108 | 2022 |
| Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations S Bharadwaj, A Dubey, NK Kamboj, AK Sahoo, SG Kang, U Yadava Scientific Reports 11 (1), 10169, 2021 | 72 | 2021 |
| Synthesis, characterization, pharmacological screening, molecular docking, DFT, MESP, ADMET studies of transition metal (II) chelates of bidentate schiff base ligand N Dawar, J Devi, B Kumar, A Dubey Inorganic Chemistry Communications 151, 110567, 2023 | 65 | 2023 |
| Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal (II) complexes of hydrazone ligands: structural elucidation … B Kumar, J Devi, A Dubey, A Tufail, B Taxak Scientific Reports 13 (1), 15906, 2023 | 51 | 2023 |
| Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates T Arora, J Devi, A Dubey, A Tufail, B Kumar Applied Organometallic Chemistry 37 (9), e7209, 2023 | 48 | 2023 |
| Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M (II) complexes: from synthesis, structural characterization, quantum … Y Deswal, S Asija, A Tufail, A Dubey, L Deswal, N Kumar, S Saroya, ... Applied Organometallic Chemistry 37 (4), e7050, 2023 | 44 | 2023 |
| Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities D Majumdar, JE Philip, A Dubey, A Tufail, S Roy Heliyon 9 (5), 2023 | 42 | 2023 |
| Interaction of human chymase with ginkgolides, terpene trilactones of Ginkgo biloba investigated by molecular docking simulations A Dubey, A Marabotti, PW Ramteke, A Facchiano Biochemical and Biophysical Research Communications 473 (2), 449-454, 2016 | 42 | 2016 |
| Searching for chymase inhibitors among chamomile compounds using a computational-based approach A Dubey, S Dotolo, PW Ramteke, A Facchiano, A Marabotti Biomolecules 9 (1), 5, 2018 | 41 | 2018 |
| Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds D Majumdar, A Dubey, A Tufail, D Sutradhar, S Roy Heliyon 9 (6), 2023 | 40 | 2023 |
| Epigallocatechin-3-gallate therapeutic potential in cancer: mechanism of action and clinical implications M Kciuk, M Alam, N Ali, S Rashid, P Głowacka, R Sundaraj, I Celik, ... Molecules 28 (13), 5246, 2023 | 37 | 2023 |
| Co (II), Ni (II), Cu (II) and Zn (II) complexes of Schiff base ligands: Synthesis, characterization, DFT, in vitro antimicrobial activity and molecular docking studies S Kumar, J Devi, A Dubey, D Kumar, DK Jindal, S Asija, A Sharma Research on Chemical Intermediates 49 (3), 939-965, 2023 | 37 | 2023 |
| In silico approach to find chymase inhibitors among biogenic compounds A Dubey, A Facchiano, PW Ramteke, A Marabotti Future Medicinal Chemistry 8 (8), 841-851, 2016 | 36 | 2016 |
| SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs S Bharadwaj, EI Azhar, MA Kamal, LH Bajrai, A Dubey, K Jha, U Yadava, ... Journal of Biomolecular Structure and Dynamics 40 (6), 2769-2784, 2022 | 34 | 2022 |
| Structure-Based Identification of Natural Products as SARS-CoV-2 Mpro Antagonist from Echinacea angustifolia Using Computational Approaches S Bharadwaj, SA El-Kafrawy, TA Alandijany, LH Bajrai, AA Shah, A Dubey, ... Viruses 13 (2), 305, 2021 | 34 | 2021 |
| Exploring the antimalarial, antioxidant, anti-inflammatory activities of newly synthesized transition metal (II) complexes bearing thiosemicarbazone ligands: Insights from … B Kumar, J Devi, A Dubey, A Tufail, S Sharma Inorganic Chemistry Communications 159, 111674, 2024 | 31 | 2024 |
| Exploration of microbially derived natural compounds against monkeypox virus as viral core cysteine proteinase inhibitors A Dubey, MM Alawi, TA Alandijany, IM Alsaady, SA Altwaim, AK Sahoo, ... Viruses 15 (1), 251, 2023 | 31 | 2023 |
| Inspecting the anti‐tuberculosis, antimicrobial, and anti‐inflammatory efficiency of newly synthesized Co (II), Ni (II), Cu (II) and Zn (II) complexes of hydrazone ligands … B Kumar, J Devi, A Dubey, A Tufail, T Arora Applied Organometallic Chemistry 37 (12), e7291, 2023 | 30 | 2023 |
| Organyltellurium (IV) complexes incorporating Schiff base ligand derived from 2-hydroxy-1-naphthaldehyde: Preparation, spectroscopic investigations, antimicrobial, antioxidant … M Dalal, A Dubey, A Tufail, N Antil, N Sehrawat, S Garg Journal of Molecular Structure 1287, 135590, 2023 | 30 | 2023 |
Anna MarabottiDepartment of Chemistry and Biology, University of SalernoVerified email at unisa.it
