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Aaftaab Sethi
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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
1882019
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
382021
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
342021
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
292020
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
222021
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
182020
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
162022
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
142020
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
102021
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
72020
Chitosan based architectures as biomedical carriers
PP Sharma, S Bhardwaj, A Sethi, VK Goel, M Grishina, B Rathi
Carbohydrate Research 522, 108703, 2022
52022
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
42023
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
42021
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
42020
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
32021
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
22023
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
22022
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
22020
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
12023
ARTIFICIAL INTELLIGENCE IN DRUG DISCOVERY: A MIRAGE OR AN OASIS?
A Sethi, B Rathi
Drug discovery today, 103994, 2024
2024
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Articles 1–20