Dr. Sanjeev Kumar Singh
Dr. Sanjeev Kumar Singh
Professor, Department of Bioinformatics, Alagappa University, Karaikudi-630004
Verified email at - Homepage
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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
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
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
Screening, isolation and characterization of biosurfactant producing Bacillus subtilis strain ANSKLAB03
A Nayarisseri, P Singh, SK Singh
Bioinformation 14 (6), 304, 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
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
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
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
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
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
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
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
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
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
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
Anti-amyloidogenic and anti-apoptotic effect of α-bisabolol against Aβ induced neurotoxicity in PC12 cells
B Shanmuganathan, V Suryanarayanan, S Sathya, M Narenkumar, ...
European journal of medicinal chemistry 143, 1196-1207, 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
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
Vitexin inhibits Aβ25-35 induced toxicity in Neuro-2a cells by augmenting Nrf-2/HO-1 dependent antioxidant pathway and regulating lipid homeostasis by the activation of LXR-α
DS Malar, V Suryanarayanan, MI Prasanth, SK Singh, K Balamurugan, ...
Toxicology in Vitro 50, 160-171, 2018
A leishmaniasis study: Structure-based screening and molecular dynamics mechanistic analysis for discovering potent inhibitors of spermidine synthase
A Grover, SP Katiyar, SK Singh, VK Dubey, D Sundar
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics, 2012
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