Molecular docking in modern drug discovery: Principles and recent applications A Sethi, K Joshi, K Sasikala, M Alvala Drug discovery and development-new advances 2, 1-21, 2019 | 188 | 2019 |
An updated patent review of galectin-1 and galectin-3 inhibitors and their potential therapeutic applications (2016-present) A Sethi, S Sanam, R Alvala, M Alvala Expert Opinion on Therapeutic Patents 31 (8), 709-721, 2021 | 38 | 2021 |
Memes: Machine learning framework for enhanced molecular screening S Mehta, S Laghuvarapu, Y Pathak, A Sethi, M Alvala, UD Priyakumar Chemical science 12 (35), 11710-11721, 2021 | 34 | 2021 |
Understanding the role of galectin inhibitors as potential candidates for SARS-CoV-2 spike protein: in silico studies A Sethi, S Sanam, S Munagalasetty, S Jayanthi, M Alvala RSC advances 10 (50), 29873-29884, 2020 | 29 | 2020 |
Computational methods directed towards drug repurposing for COVID-19: advantages and limitations PP Sharma, M Bansal, A Sethi, L Pena, VK Goel, M Grishina, ... RSC advances 11 (57), 36181-36198, 2021 | 22 | 2021 |
Ultrasonication-Assisted Synthesis of a d-Glucosamine-Based β-CD Inclusion Complex and Its Application as an Aqueous Heterogeneous Organocatalytic System D Rani, A Sethi, K Kaur, J Agarwal The Journal of Organic Chemistry 85 (15), 9548-9557, 2020 | 18 | 2020 |
Drug repurposing against SARS-CoV-2 using computational approaches S Kumar, S Kovalenko, S Bhardwaj, A Sethi, NY Gorobets, SM Desenko, ... Drug Discovery Today 27 (7), 2015-2027, 2022 | 16 | 2022 |
Synthesis and Biological Evaluation of Imidazo[2,1-b]Thiazole based Sulfonyl Piperazines as Novel Carbonic Anhydrase II Inhibitors KL Manasa, S Pujitha, A Sethi, M Arifuddin, M Alvala, A Angeli, ... Metabolites 10 (4), 136, 2020 | 14 | 2020 |
Non-carbohydrate strategies to inhibit lectin proteins with special emphasis on galectins A Sethi, S Sanam, M Alvala European Journal of Medicinal Chemistry 222, 113561, 2021 | 10 | 2021 |
Targeting integrase enzyme: a therapeutic approach to combat HIV resistance D Komal, J Khushboo, S Aaftaab, S Lakshmi, A Mallika Mini Reviews in Medicinal Chemistry 20 (3), 219-238, 2020 | 7 | 2020 |
Chitosan based architectures as biomedical carriers PP Sharma, S Bhardwaj, A Sethi, VK Goel, M Grishina, B Rathi Carbohydrate Research 522, 108703, 2022 | 5 | 2022 |
Coumarin and piperazine conjugates as selective inhibitors of the tumor-associated Carbonic Anhydrase IX and XII isoforms A Sethi, S Munagalasetty, M Arifuddin, S Carradori, CT Supuran, R Alvala, ... Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2023 | 4 | 2023 |
Design, synthesis and computational studies involving indole-coumarin hybrids as galectin-1 inhibitors A Sethi, K Sasikala, P Jakkula, D Gadde, S Sanam, IA Qureshi, V Talla, ... Chemical Papers 75, 2791-2805, 2021 | 4 | 2021 |
Synthesis, molecular docking simulation, and biological evaluation studies of novel amide and ether conjugates of 2, 3‐diaryl‐1, 3‐thiazolidin‐4‐ones K Daipule, NS Goud, A Sethi, S Gurrapu, E Mamidala, M Alvala Journal of Heterocyclic Chemistry 57 (2), 774-790, 2020 | 4 | 2020 |
Enhanced Sampling of Chemical Space for High Throughput Screening Applications using Machine Learning S Mehta, S Laghuvarapu, Y Pathak, A Sethi, M Alvala, UD Priyakumar chemrxiv, 2021 | 3 | 2021 |
Metal-free construction of aminated isoquinoline frameworks from 2-(2-oxo-2-arylethyl) benzonitrile in an aqueous medium H Sharma, M Kumar, A Sethi, B Rathi Green Chemistry 25 (1), 167-171, 2023 | 2 | 2023 |
Novel inhibitors of malarial aspartyl proteases, plasmepsin II and IV: in silico design and validation studies PP Sharma, A Sethi, B Dwivedi, M Grishina, B Rathi, G Singh Chemical Biology Letters 9 (1), 315-315, 2022 | 2 | 2022 |
New clues arising from hunt of saccharides binding to galectin 3 via 3D QSAR and docking studies A Sethi, S Sanam, M Alvala Informatics in Medicine Unlocked 21, 100411, 2020 | 2 | 2020 |
Quest for selective MMP9 inhibitors: a computational approach AS Shaikh, A Sethi, PN Makhal, B Rathi, VR Kaki Journal of Biomolecular Structure and Dynamics 41 (24), 15053-15066, 2023 | 1 | 2023 |
ARTIFICIAL INTELLIGENCE IN DRUG DISCOVERY: A MIRAGE OR AN OASIS? A Sethi, B Rathi Drug discovery today, 103994, 2024 | | 2024 |