| Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants–Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and … P Shree, P Mishra, C Selvaraj, SK Singh, R Chaube, N Garg, YB Tripathi Journal of Biomolecular Structure and Dynamics 40 (1), 190-203, 2022 | 305 | 2022 |
| Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors SK Tripathi, R Muttineni, SK Singh Journal of theoretical biology 334, 87-100, 2013 | 191 | 2013 |
| Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target Umesh, D Kundu, C Selvaraj, SK Singh, VK Dubey Journal of Biomolecular Structure and Dynamics, 1-9, 2020 | 166 | 2020 |
| Screening, isolation and characterization of biosurfactant producing Bacillus subtilis strain ANSKLAB03 A Nayarisseri, P Singh, SK Singh Bioinformation 14 (6), 304, 2018 | 122 | 2018 |
| Constitutive inflammatory cytokine storm: a major threat to human health KK Gupta, MA Khan, SK Singh Journal of Interferon & Cytokine Research 40 (1), 19-23, 2020 | 111 | 2020 |
| 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 | 94 | 2017 |
| Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19 C Selvaraj, DC Dinesh, U Panwar, R Abhirami, E Boura, SK Singh Journal of Biomolecular Structure and Dynamics 39 (13), 4582-4593, 2021 | 92 | 2021 |
| β-Sitosterol targets Trx/Trx1 reductase to induce apoptosis in A549 cells via ROS mediated mitochondrial dysregulation and p53 activation T Rajavel, P Packiyaraj, V Suryanarayanan, SK Singh, K Ruckmani, ... Scientific Reports 8 (1), 2071, 2018 | 91 | 2018 |
| Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries C Selvaraj, I Chandra, SK Singh Molecular Diversity, 1-21, 2022 | 70 | 2022 |
| Artificial intelligence, big data and machine learning approaches in precision medicine & drug discovery A Nayarisseri, R Khandelwal, P Tanwar, M Madhavi, D Sharma, G Thakur, ... Current drug targets 22 (6), 631-655, 2021 | 70 | 2021 |
| Tool development for Prediction of pIC50 values from the IC50 values-A pIC50 value calculator C Selvaraj, SK Tripathi, KK Reddy, SK Singh Current Trends in Biotechnology and Pharmacy 5 (2), 1104-1109, 2011 | 61 | 2011 |
| 3D-QSAR CoMFA study on indenopyrazole derivatives as cyclin dependent kinase 4 (CDK4) and cyclin dependent kinase 2 (CDK2) inhibitors SK Singh, N Dessalew, PV Bharatam European journal of medicinal chemistry 41 (11), 1310-1319, 2006 | 56 | 2006 |
| Novel ligand-based docking; molecular dynamic simulations; and absorption, distribution, metabolism, and excretion approach to analyzing potential acetylcholinesterase … S Vijayakumar, P Manogar, S Prabhu, RAS Singh Journal of Pharmaceutical Analysis 8 (6), 413-420, 2018 | 55 | 2018 |
| In silico and in vitro studies on the protein-protein interactions between Brugia malayi immunomodulatory protein calreticulin and human C1q S Yadav, S Gupta, C Selvaraj, PK Doharey, A Verma, SK Singh, ... PloS one 9 (9), e106413, 2014 | 50 | 2014 |
| In silico and in vitro studies of cinnamaldehyde and their derivatives against LuxS in Streptococcus pyogenes: effects on biofilm and virulence genes RM Beema Shafreen, C Selvaraj, SK Singh, S Karutha Pandian Journal of Molecular Recognition 27 (2), 106-116, 2014 | 50 | 2014 |
| 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 |
| Assessment of dual inhibition property of newly discovered inhibitors against PCAF and GCN5 through in silico screening, molecular dynamics simulation and DFT approach V Suryanarayanan, SK Singh Journal of Receptors and Signal Transduction 35 (5), 370-380, 2015 | 45 | 2015 |
| Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach SK Tripathi, SK Singh, P Singh, P Chellaperumal, KK Reddy, C Selvaraj Journal of Molecular Recognition 25 (10), 504-512, 2012 | 45 | 2012 |
| Structure-based virtual screening for the identification of high affinity compounds as potent VEGFR2 inhibitors for the treatment of renal cell carcinoma K Sharma, K Patidar, MA Ali, P Patil, H Goud, T Hussain, A Nayarisseri, ... Current topics in medicinal chemistry 18 (25), 2174-2185, 2018 | 44 | 2018 |
Chandrabose SelvarajSaveetha Institute of Medical and Technical Sciences, Chennai, Tamil NaduVerified email at csrdd.org
