C. Selvaraj

发表

Investigations on the Interactions of λPhage-Derived Peptides Against the SrtA Mechanism in Bacillus anthracis

S. Singh, Poonam Singh, C. Selvaraj, 2014, Applied Biochemistry and Biotechnology.

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology.

W. Tong, H. Hong, S. Sakkiah, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Advantages of Structure-Based Drug Design Approaches in Neurological Disorders

S. Singh, C. Selvaraj, Murali Aarthy, 2017, Current neuropharmacology.

Explicit Drug Re-positioning: Predicting Novel Drug-Target Interactions of the Shelved Molecules with QM/MM Based Approaches.

S. Singh, Poonam Singh, Ankur Omer, 2015, Advances in protein chemistry and structural biology.

Shape and pharmacophore-based virtual screening to identify potential cytochrome P450 sterol 14α-demethylase inhibitors

S. Singh, S. Tripathi, K. K. Reddy, 2013, Journal of receptor and signal transduction research.

Mechanistic insights of SrtA–LPXTG blockers targeting the transpeptidase mechanism in Streptococcus mutans

Jung-Kul Lee, S. Singh, C. Selvaraj, 2015 .

Investigating into the molecular interactions of flavonoids targeting NS2B-NS3 protease from ZIKA virus through in-silico approaches

Rajanish Giri, Prateek Kumar, S. Singh, 2020, Journal of biomolecular structure & dynamics.

In silico and in vitro studies of cinnamaldehyde and their derivatives against LuxS in Streptococcus pyogenes: effects on biofilm and virulence genes

S. Singh, C. Selvaraj, S. Karutha Pandian, 2014, Journal of molecular recognition : JMR.

Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) – a molecular docking study

S. Singh, N. Garg, C. Selvaraj, 2020, Journal of biomolecular structure & dynamics.

Bacterial protein azurin and derived peptides as potential anti-SARS-CoV-2 agents: insights from molecular docking and molecular dynamics simulations

A. Fialho, V. Dubey, S. Singh, 2020, Journal of biomolecular structure & dynamics.

Current Computational Approaches for the Development of Anti-HIV Inhibitors: An Overview.

S. Singh, I. Chandra, C. Selvaraj, 2019, Current pharmaceutical design.

Enhancement of methanol production from synthetic gas mixture by Methylosinus sporium through covalent immobilization

Sanjay K. S. Patel, Jung-Kul Lee, V. Kalia, 2016 .

Pretreatment of cellulosic waste materials

Muthukumar, C. Selvaraj, R. Haripriya, 2014 .

Ligand‐based pharmacophore modelling and screening of DNA minor groove binders targeting Staphylococcus aureus

S. Singh, S. K. Pandian, C. Selvaraj, 2014, Journal of molecular recognition : JMR.

Phytoremediation of metal-contaminated soils by the hyperaccumulator canola (Brassica napus L.) and the use of its biomass for ethanol production

D. W. Kim, Jung-Kul Lee, Ranjitha Singh, 2016 .

Molecular Insights on exquisitely Selective SrtA inhibitors towards active site loop forming open/close lid conformations in SrtA from Bacillus anthracis

Dongqing Wei, S. Singh, C. Selvaraj, 2019, bioRxiv.

Molecular docking, QPLD, and ADME prediction studies on HIV-1 integrase leads

S. Singh, S. Tripathi, K. K. Reddy, 2012, Medicinal Chemistry Research.

Communication of γ Phage Lysin plyG Enzymes Binding toward SrtA for Inhibition of Bacillus Anthracis: Protein–Protein Interaction and Molecular Dynamics Study

S. Singh, C. Selvaraj, Ramanathan Bharathi Priya, 2014, Cell communication & adhesion.

In vitro and in silico studies on cell adhesion protein peroxinectin from Fenneropenaeus indicus and screening of heme blockers against activity

S. Singh, B. Vaseeharan, C. Selvaraj, 2016, Journal of molecular recognition : JMR.

Validation of potential inhibitors for SrtA against Bacillus anthracis by combined approach of ligand-based and molecular dynamics simulation

S. Singh, C. Selvaraj, 2014, Journal of biomolecular structure & dynamics.

Virtual screening based on pharmacophoric features of known calpain inhibitors to identify potent inhibitors of calpain

S. Singh, C. Selvaraj, A. R. Muralidharan, 2013, Medicinal Chemistry Research.

Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach

S. Singh, S. Tripathi, Poonam Singh, 2012, Journal of molecular recognition : JMR.

Applications of Polyhydroxyalkanoates Based Nanovehicles as Drug Carriers

D. Sudarsanam, C. Selvaraj, Jerrine Joseph, 2019, Biotechnological Applications of Polyhydroxyalkanoates.

Tool development for Prediction of pIC50 values from the IC50 values - A pIC50 value calculator

S. Singh, S. Tripathi, K. K. Reddy, 2011 .

Interaction investigations of crustacean β‐GBP recognition toward pathogenic microbial cell membrane and stimulate upon prophenoloxidase activation

S. Singh, B. Vaseeharan, C. Selvaraj, 2014, Journal of molecular recognition : JMR.

Immunological insights of selectins in human disease mechanism.

S. Singh, F. Alfaiz, C. Selvaraj, 2022, Advances in protein chemistry and structural biology.

Ion channels as therapeutic targets for type 1 diabetes mellitus.

Dongqing Wei, S. Singh, W. Cho, 2020, Current drug targets.

Understanding the biological role of PqqB in Pseudomonas stutzeri using molecular dynamics simulation approach

M. Khan, Sunil Kumar, A. Saxena, 2020, Journal of biomolecular structure & dynamics.

Molecular insights on analogs of HIV PR inhibitors toward HTLV‐1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV‐1 PR

S. Singh, Poonam Singh, C. Selvaraj, 2014, Journal of molecular recognition : JMR.

Virtual screening of LPXTG competitive SrtA inhibitors targeting signal transduction mechanism in Bacillus anthracis: a combined experimental and theoretical study

S. Singh, C. Selvaraj, Vaseeharan Baskaralingam, 2014, Journal of receptor and signal transduction research.

Molecular cloning, relative expression, and structural analysis of pattern recognition molecule β‐glucan binding protein from mangrove crab Episesarma tetragonum

S. Singh, B. Vaseeharan, C. Selvaraj, 2015, Biotechnology and applied biochemistry.

Structural elucidation of SrtA enzyme in Enterococcus faecalis: an emphasis on screening of potential inhibitors against the biofilm formation.

S. Singh, Poonam Singh, B. Vaseeharan, 2014, Molecular bioSystems.

Virtual screening based on pharmacophoric features of known calpain inhibitors to identify potent inhibitors of calpain

S. Singh, C. Selvaraj, A. R. Muralidharan, 2014, Medicinal Chemistry Research.

Identification of potential HIV-1 integrase strand transfer inhibitors: In silico virtual screening and QM/MM docking studies

S. Singh, S. Tripathi, K. K. Reddy, 2013, SAR and QSAR in environmental research.

Molecular docking, QPLD, and ADME prediction studies on HIV-1 integrase leads

S. Singh, S. Tripathi, K. K. Reddy, 2012, Medicinal Chemistry Research.

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

V. Dubey, E. Bouřa, S. Singh, 2021, Frontiers in Chemistry.

In silico screening of indinavir-based compounds targeting proteolytic activity in HIV PR: binding pocket fit approach

S. Singh, S. Tripathi, K. K. Reddy, 2012, Medicinal Chemistry Research.

AMYLASE ENZYME PRODUCTION USING TAPIOCA PEELS

C. Selvaraj, R. Haripriya, D. Naveenraj, 2014 .

Understanding the importance of conservative hypothetical protein LdBPK_070020 in Leishmania donovani and its role in subsistence of the parasite.

V. Dubey, S. Singh, C. Selvaraj, 2016, Archives of biochemistry and biophysics.

Identification of Potent Inhibitors against Aurora Kinase A Using Molecular Docking and Molecular Dynamics Simulation Studies

Asma Sindhoo Nangraj, S. Singh, A. Kaushik, 2019 .

Eco-friendly Microbial Biopolymers: Recent Development, Biodegradation, and Applications

Chandrabose Selvaraj, Sanjeev Kumar Singh, S. Singh, 2021 .

Synthesis, antibacterial, anti-oxidant and molecular docking studies of imidazoquinolines

R. Nandhakumar, C. Selvaraj, K. Velmurugan, 2021, Heliyon.

Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review

J. Koča, C. Selvaraj, I. Tvaroška, 2020, Molecules.

Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2).

Dongqing Wei, S. Singh, A. Kaushik, 2019, International journal of biological macromolecules.

Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors

Chandrabose Selvaraj, Sunil Kumar Tripathi, Sanjeev Kumar Singh, 2012, Journal of enzyme inhibition and medicinal chemistry.

Promoter-motif extraction from co-regulated genes and their relevance to co-expression using E. coli as a model.

M. Khan, S. Singh, C. Selvaraj, 2023, Briefings in functional genomics.

Structure-Based Virtual Screening and Biological Evaluation of a Calpain Inhibitor for Prevention of Selenite-Induced Cataractogenesis in an in Vitro System

Sanjeev Kumar Singh, Chandrabose Selvaraj, Arumugam Ramachandran Muralidharan, 2015, J. Chem. Inf. Model..

Comparative structural analysis of two proteins belonging to quorum sensing system in Vibrio cholerae

Sunil Kumar, S. Singh, D. Singh, 2012, Journal of biomolecular structure & dynamics.

Exploration of protein–protein interaction effects on α-2-macroglobulin in an inhibition of serine protease through gene expression and molecular simulations studies

S. Singh, B. Vaseeharan, C. Selvaraj, 2014, Journal of biomolecular structure & dynamics.

Effect of Amino Acid Substitution in the Penaeus monodon LGBP and Specificity Through Mutational Analysis

S. Singh, Kiyun Park, B. Vaseeharan, 2019, International Journal of Peptide Research and Therapeutics.

Phage Protein Interactions in the Inhibition Mechanism of Bacterial Cell

S. Singh, C. Selvaraj, 2020 .

Shape-based Machine Learning Models for the potential Novel COVID-19 protease inhibitors assisted by Molecular Dynamics Simulation.

Sanjeev Kumar Singh, Chandrabose Selvaraj, Ravina Khandelwal, 2020, Current topics in medicinal chemistry.

Molecular interaction analysis of β-1, 3 glucan binding protein with Bacillus licheniformis and evaluation of its immunostimulant property in Oreochromis mossambicus.

S. Singh, B. Vaseeharan, M. Govindarajan, 2021, Fish & shellfish immunology.

A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization

Sanjay K. S. Patel, C. Pan, Jung-Kul Lee, 2016, Scientific Reports.

Structural insights into the binding mode of d-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations

Sanjay K. S. Patel, Jung-Kul Lee, S. Singh, 2016 .

Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19

E. Bouřa, S. Singh, C. Selvaraj, 2020, Journal of biomolecular structure & dynamics.

Modeling of macromolecular proteins in prophenoloxidase cascade through experimental and computational approaches

S. Singh, B. Vaseeharan, C. Selvaraj, 2016, Biotechnology and applied biochemistry.

Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries

S. Singh, I. Chandra, C. Selvaraj, 2021, Molecular diversity.

Competitive docking model for prediction of the human nicotinic acetylcholine receptor α7 binding of tobacco constituents

Weida Tong, Huixiao Hong, Leihong Wu, 2018, Oncotarget.

In Silico and In Vitro Studies on the Protein-Protein Interactions between Brugia malayi Immunomodulatory Protein Calreticulin and Human C1q

S. Yadav, S. Singh, A. Verma, 2014, PloS one.

A three-dimensional chemical phase pharmacophore mapping, QSAR modelling and electronic feature analysis of benzofuran salicylic acid derivatives as LYP inhibitors

S. Tripathi, C. Selvaraj, Karnati Konda Reddy, 2013, SAR and QSAR in environmental research.

Exploration of the binding of DNA binding ligands to Staphylococcal DNA through QM/MM docking and molecular dynamics simulation

S. Singh, C. Selvaraj, P. Daisy, 2013, Journal of biomolecular structure & dynamics.

Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification.

M. Kandhavelu, C. Selvaraj, Srivatsan Kidambi, 2023, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

SARS-CoV-2 ORF8 dimerization and binding mode analysis with class I MHC: computational approaches to identify COVID-19 inhibitors.

S. Singh, E. Pedone, C. Selvaraj, 2023, Briefings in functional genomics.

Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19

Gilles H. Peslherbe, Dongqing Wei, S. Singh, 2021, International journal of molecular sciences.

Structural insights of macromolecules involved in bacteria-induced apoptosis in the pathogenesis of human diseases.

M. Vierra, S. Singh, C. Selvaraj, 2021, Advances in protein chemistry and structural biology.

A database for the predicted pharmacophoric features of medicinal compounds

Sanjeev Kumar Singh, Chandrabose Selvaraj, Pitchai Daisy, 2011, Bioinformation.

Potential of Immobilized Whole-Cell Methylocella tundrae as a Biocatalyst for Methanol Production from Methane.

Sanjay K. S. Patel, In-Won Kim, Jung-Kul Lee, 2016, Journal of microbiology and biotechnology.

Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target

Chandrabose Selvaraj, Vikash Kumar Dubey, Sanjeev Kumar Singh, 2020, Journal of biomolecular structure & dynamics.

Molecular Modeling and Drug Design Techniques in Microbial Drug Discovery

Chandrabose Selvaraj, C. Selvaraj, 2019, Essentials of Bioinformatics, Volume II.

Molecular modeling studies and comparative analysis on structurally similar HTLV and HIV protease using HIV-PR inhibitors

S. Singh, Poonam Singh, C. Selvaraj, 2014, Journal of receptor and signal transduction research.

195 In silico study on HIV-PRIs substructures to terminate proteolytic activity in HTLV

R. Singh, S. Singh, Poonam Singh, 2013 .

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

Studies on Heterosis and Combining Ability of Well Known Blast Resistant Rice Genotypes with High Yielding Varieties of Rice (Oryza sativa L.)

M. Bharathi, C. Selvaraj, R. Rabindran, 2011 .

Exploring the Biology and Structural Architecture of Sortase Role on Biofilm Formation in Gram Positive Pathogens.

S. Singh, C. Selvaraj, R. Priya, 2019, Current Topics in Medicinal Chemistry.

Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibitors

Dongqing Wei, S. Singh, C. Selvaraj, 2021, Saudi journal of biological sciences.

Computational Studies Reveal Piperine, the Predominant Oleoresin of Black Pepper (Piper nigrum) as a Potential Inhibitor of SARS-CoV-2 (COVID-19)

Sunil Kumar, A. Saxena, S. Singh, 2020, Current Science.

Exploration of fluoroquinolone resistance in Streptococcus pyogenes: comparative structure analysis of wild‐type and mutant DNA gyrase

S. Singh, S. K. Pandian, C. Selvaraj, 2013, Journal of molecular recognition : JMR.

Screening, production and optimization of Uricase from P. aeruginosa

C. Selvaraj, P. Vasan, 2017 .

182 Molecular recognition between active site contour maps and ligand pharmacophoric sites predicts the future leads of HTLV-PR inhibitors

S. Singh, C. Selvaraj, 2015, Journal of biomolecular structure & dynamics.

Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of Glioblastoma

S. Singh, C. Selvaraj, Umesh Panwar, 2023, Applied Biochemistry and Biotechnology.

Chemoinformatics and QSAR

Chandrabose Selvaraj, Sanjeev Kumar Singh, Vivek Srivastava, 2021, Advances in Bioinformatics.

Protein Engineering Approaches in the Post-Genomic Era.

Jung-Kul Lee, R. Singh, Ranjitha Singh, 2017, Current protein & peptide science.

Chemopreventive effect of saponin isolated from Gymnema sylevestre on prostate cancer through in silico and in vivo analysis

S. Singh, C. Selvaraj, V. Suryanarayanan, 2017, Medicinal Chemistry Research.

Consensus Modeling for Prediction of Estrogenic Activity of Ingredients Commonly Used in Sunscreen Products

Weida Tong, Huixiao Hong, Chandrabose Selvaraj, 2016, International journal of environmental research and public health.

Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

W. Ge, H. Hong, T. Patterson, 2021, International journal of molecular sciences.

Targeting Multidrug Resistant Mycobacterium tuberculosis HtrA2 with Identical Chemical Entities of Fluoroquinolones

C. Selvaraj, P. Daisy, S. Singh, 2012, Indian journal of pharmaceutical sciences.

Marker Assisted Selection for Leaf Blast Disease resistance and other yield traits in rice (Oryza sativa L.) using RAPD Markers

M. Bharathi, C. Selvaraj, R. Rabindran, 2011 .

Examine the characterization of biofilm formation and inhibition by targeting SrtA mechanism in Bacillus subtilis: a combined experimental and theoretical study

S. Singh, Poonam Singh, B. Vaseeharan, 2014, Journal of Molecular Modeling.

Assessing Leaching of Potentially Hazardous Elements from Cookware during Cooking: A Serious Public Health Concern

Muhammad Imran, S. Safi, C. Selvaraj, 2023, Toxics.

Development of estrogen receptor beta binding prediction model using large sets of chemicals

Chaoyang Zhang, Weida Tong, Huixiao Hong, 2017, Oncotarget.

Molecular insights of protein contour recognition with ligand pharmacophoric sites through combinatorial library design and MD simulation in validating HTLV-1 PR inhibitors.

Ankur Omer, Chandrabose Selvaraj, Poonam Singh, 2015, Molecular bioSystems.

Modeling of macromolecular proteins in prophenoloxidase cascade through experimental and computational approaches

S. Singh, B. Vaseeharan, C. Selvaraj, 2016, Biotechnology and applied biochemistry.

Molecular dynamics simulations and applications in computational toxicology and nanotoxicology.

W. Tong, H. Hong, S. Sakkiah, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Exploring the Artificial Intelligence and Machine Learning Models in the Context of Drug Design Difficulties and Future Potential for the Pharmaceutical Sectors.

B. Vaseeharan, S. Safi, C. Selvaraj, 2023, Methods.

Toxicological study on Ibuprofen and Selenium in freshwater mussel Lamellidens marginalis and exploring the microbial cytochrome through Modelling and Quantum Mechanics approaches for its toxicity degradation in contaminated environment.

S. Singh, C. Selvaraj, Vaseeharan Baskaralingam, 2024, Environmental research.