Dr. Sanjeev Kumar Singh
Dr. Sanjeev Kumar Singh
Professor, Department of Bioinformatics, Alagappa University, Karaikudi-630004
Email verificata su sanjeevslab.org - Home page
Citata da
Citata da
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
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
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
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
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
Validation of potential inhibitors for SrtA against Bacillus anthracis by combined approach of ligand-based and molecular dynamics simulation
C Selvaraj, SK Singh
Journal of Biomolecular Structure and Dynamics 32 (8), 1333-1349, 2014
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), 1-15, 2018
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
Insights into the structural basis of 3, 5-diaminoindazoles as CDK2 inhibitors: Prediction of binding modes and potency by QM–MM interaction, MESP and MD simulation
SK Tripathi, SK Singh
Molecular BioSystems 10 (8), 2189-2201, 2014
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
In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach
C Selvaraj, SK Singh, SK Tripathi, KK Reddy, M Rama
Medicinal Chemistry Research 21 (12), 4060-4068, 2012
Blocking the interaction between HIV-1 integrase and human LEDGF/p75: mutational studies, virtual screening and molecular dynamics simulations
KK Reddy, P Singh, SK Singh
Molecular BioSystems 10 (3), 526-536, 2014
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
Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors
KK Reddy, SK Singh, N Dessalew, SK Tripathi, C Selvaraj
Journal of enzyme inhibition and medicinal chemistry 27 (3), 339-347, 2012
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
Molecular dynamic simulations reveal suboptimal binding of salbutamol in T164I variant of β2 adrenergic receptor
S Bandaru, M Alvala, A Nayarisseri, S Sharda, H Goud, HP Mundluru, ...
PloS one 12 (10), e0186666, 2017
Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14α-demethylase inhibitors
KK Reddy, SK Singh, SK Tripathi, C Selvaraj, V Suryanarayanan
Journal of Receptors and Signal Transduction 33 (4), 234-243, 2013
Virtual screening approaches in identification of bioactive compounds Akin to delphinidin as potential HER2 inhibitors for the treatment of breast cancer
K Patidar, A Deshmukh, S Bandaru, C Lakkaraju, A Girdhar, G VR, ...
Asian Pacific Journal of Cancer Prevention 17 (4), 2291-2295, 2016
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
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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