Hydroxychloroquine inhibits Zika virus NS2B-NS3 protease A Kumar, B Liang, M Aarthy, SK Singh, N Garg, IU Mysorekar, R Giri ACS omega 3 (12), 18132-18141, 2018 | 103 | 2018 |
Epigallocatechin gallate, an active green tea compound inhibits the Zika virus entry into host cells via binding the envelope protein N Sharma, A Murali, SK Singh, R Giri International journal of biological macromolecules 104, 1046-1054, 2017 | 95 | 2017 |
Structural insights into the binding mode of flavonols with the active site of matrix metalloproteinase-9 through molecular docking and molecular dynamic simulations studies D Pradiba, M Aarthy, V Shunmugapriya, SK Singh, M Vasanthi Journal of Biomolecular Structure and Dynamics 36 (14), 3718-3739, 2018 | 46 | 2018 |
Investigating into the molecular interactions of flavonoids targeting NS2B-NS3 protease from ZIKA virus through in-silico approaches R Yadav, C Selvaraj, M Aarthy, P Kumar, A Kumar, SK Singh, R Giri Journal of Biomolecular Structure and Dynamics 39 (1), 272-284, 2021 | 36 | 2021 |
Mechanistic insights into Zika virus NS3 helicase inhibition by epigallocatechin-3-gallate D Kumar, N Sharma, M Aarthy, SK Singh, R Giri ACS omega 5 (19), 11217-11226, 2020 | 33 | 2020 |
E7 oncoprotein of human papillomavirus: Structural dynamics and inhibitor screening study M Aarthy, D Kumar, R Giri, SK Singh Gene 658, 159-177, 2018 | 33 | 2018 |
Advantages of structure-based drug design approaches in neurological disorders M Aarthy, U Panwar, C Selvaraj, SK Singh Current Neuropharmacology 15 (8), 1136-1155, 2017 | 33 | 2017 |
Discovery of potent inhibiors for the inhibtion of Dengue Envelope protien: An insilico approach SKS M Aarthy Current Topics in Medicinal Chemistry, 2018 | 24 | 2018 |
In-silico strategies for identification of potent inhibitor for MMP-1 to prevent metastasis of breast cancer V Shunmuga Priya, D Pradiba, M Aarthy, SK Singh, A Achary, M Vasanthi Journal of Biomolecular Structure and Dynamics 39 (18), 7274-7293, 2021 | 17 | 2021 |
Targeting the NTPase site of Zika virus NS3 helicase for inhibitor discovery D Kumar, M Aarthy, P Kumar, SK Singh, VN Uversky, R Giri Journal of Biomolecular Structure and Dynamics 38 (16), 4827-4837, 2020 | 16 | 2020 |
Spectroscopic and molecular docking studies for the binding and interaction aspects of curcumin-cysteine conjugate and rosmarinic acid with human telomeric G-quadruplex DNA A Dwivedi, A Kumari, M Aarthy, SK Singh, M Ojha, S Jha, SK Jha, NS Jha International journal of biological macromolecules 182, 1463-1472, 2021 | 15 | 2021 |
Structural dynamic studies on identification of EGCG analogues for the inhibition of Human Papillomavirus E7 M Aarthy, U Panwar, SK Singh Scientific reports 10 (1), 8661, 2020 | 15 | 2020 |
Interpretations on the interaction between protein tyrosine phosphatase and E7 oncoproteins of high and low-risk HPV: A computational perception M Aarthy, SK Singh ACS omega 6 (25), 16472-16487, 2021 | 8 | 2021 |
Computational identification and antifungal bioassay reveals phytosterols as potential inhibitor of Alternaria arborescens P Choudhary, H Chakdar, A Singh, S Kumar, SK Singh, M Aarthy, ... Journal of Biomolecular Structure and Dynamics, 2019 | 7 | 2019 |
Unraveling the multi-targeted curative potential of bioactive molecules against cervical cancer through integrated omics and systems pharmacology approach M Aarthy, P Muthuramalingam, M Ramesh, SK Singh Scientific Reports 12 (1), 14245, 2022 | 6 | 2022 |
Experiments and simulation on ZIKV NS2B-NS3 protease reveal its complex folding A Kumar, P Kumar, M Aarthy, SK Singh, R Giri Virology 556, 110-123, 2021 | 6 | 2021 |
Structural understanding of SARS-CoV-2 drug targets, active site contour map analysis and COVID-19 therapeutics C Selvaraj, DC Dinesh, P Krafcikova, E Boura, M Aarthy, MA Pravin, ... Current Molecular Pharmacology 15 (2), 418-433, 2022 | 5 | 2022 |
α-bisabolol β-D-fucopyranoside inhibits β-amyloid (Aβ) 25–35 induced oxidative stress in Neuro-2a cells via antioxidant approaches M Jeyakumar, S Sathya, S Gandhi, P Tharra, M Aarthy, DJ Balan, ... Process Biochemistry 121, 493-503, 2022 | 3 | 2022 |
Virtual Screening Process: A Guide in Modern Drug Designing U Panwar, A Murali, MA Khan, C Selvaraj, SK Singh Computational Drug Discovery and Design, 21-31, 2023 | 2 | 2023 |
Computational analysis identifies druggable mutations in human rBAT mediated Cystinuria B Pandey, M Aarthy, M Sharma, SK Singh, V Kumar Journal of Biomolecular Structure and Dynamics 39 (14), 5058-5067, 2021 | 2 | 2021 |