Dr. Sanjeev Kumar Singh
Dr. Sanjeev Kumar Singh
Professor, Department of Bioinformatics, Alagappa University, Karaikudi-630004
Email verificata su sanjeevslab.org - Home page
TitoloCitata daAnno
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
1002013
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
412006
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
362011
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
332014
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
322017
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
312014
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
312012
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
282014
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
282012
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
272012
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
262014
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), 2014
252014
Targeting multidrug resistant Mycobacterium tuberculosis htra2 with identical chemical entities of fluoroquinolones
P Daisy, P Vijayalakshmi, C Selvaraj, SK Singh, K Saipriya
Indian Journal of Pharmaceutical Sciences 74 (3), 217, 2012
242012
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
222015
Identification of potential HIV-1 integrase strand transfer inhibitors: in silico virtual screening and QM/MM docking studies
KK Reddy, SK Singh, SK Tripathi, C Selvaraj
SAR and QSAR in Environmental Research 24 (7), 581-595, 2013
222013
3D-QSAR CoMFA study on oxindole derivatives as cyclin dependent kinase 1 (CDK1) and cyclin dependent kinase 2 (CDK2) inhibitors
S Kumar Singh, N Dessalew, PV Bharatam
Medicinal Chemistry 3 (1), 75-84, 2007
212007
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
192018
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
192012
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), 2017
182017
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
182016
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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