Sivakumar Prasanth Kumar

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Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2020, Molecular diversity.

Development of pharmacophore similarity-based quantitative activity hypothesis and its applicability domain: applied on a diverse data-set of HIV-1 integrase inhibitors

H. Pandya, Sivakumar Prasanth Kumar, Y. Jasrai, 2015, Journal of biomolecular structure & dynamics.

Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening.

P. Jha, Sivakumar Prasanth Kumar, 2016, Chemico-biological interactions.

Qualitative and quantitative pharmacophore-similarity assessment of anthranilamide-based factor Xa inhibitors: applications on similar molecules with identical biological endpoints

H. Pandya, Sivakumar Prasanth Kumar, R. Rawal, 2016, Journal of receptor and signal transduction research.

The effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models

H. Pandya, P. Jha, Sivakumar Prasanth Kumar, 2016, Journal of biomolecular structure & dynamics.

Structural insights into the theoretical model of Plasmodium falciparum NADH dehydrogenase and its interaction with artemisinin and derivatives: towards global health therapeutics.

H. Pandya, Sivakumar Prasanth Kumar, Y. Jasrai, 2013, Omics : a journal of integrative biology.

Effect of p-sulfonatocalix[4]resorcinarene (PSC[4]R) on the solubility and bioavailability of a poorly water soluble drug lamotrigine (LMN) and computational investigation

Nikunj N. Valand, U. Harikrishnan, S. Menon, 2013 .

Prediction of protein targets of kinetin using in silico and in vitro methods: a case study on spinach seed germination mechanism

Yogesh T Jasrai, Himanshu A Pandya, H. Pandya, 2015, Journal of chemical biology.

Energetic contributions of amino acid residues and its cross-talk (ECONTACT) to delineate ligand binding mechanism.

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2020, Proteins.

Parallel screening of drug-like natural compounds using Caco-2 cell permeability QSAR model with applicability domain, lipophilic ligand efficiency index and shape property: A case study of HIV-1 reverse transcriptase inhibitors

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2017 .

Epitope-Based Immunoinformatics and Molecular Docking Studies of Nucleocapsid Protein and Ovarian Tumor Domain of Crimean–Congo Hemorrhagic Fever Virus

J. Jeyakanthan, H. Pandya, P. Srinivasan, 2011, Front. Gene..

Identification of promising compounds from curry tree with cyclooxygenase inhibitory potential using a combination of machine learning, molecular docking, dynamics simulations and binding free energy calculations

C. Patel, Sivakumar Prasanth Kumar, R. Rawal, 2020, Molecular Simulation.

Synthesis and biological evaluation of cationic fullerene quinazolinone conjugates and their binding mode with modeled Mycobacterium tuberculosis hypoxanthine-guanine phosphoribosyltransferase enzyme

Nikunj N. Valand, S. Menon, Sivakumar Prasanth Kumar, 2013, Journal of Molecular Modeling.

Cardiotonic steroids as potential Na+/K+-ATPase inhibitors – a computational study

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2019, Journal of receptor and signal transduction research.

A multiparametric organ toxicity predictor for drug discovery

Daxesh P. Patel, F. Gonzalez, H. Pandya, 2019, Toxicology mechanisms and methods.

Implementation of pseudoreceptor-based pharmacophore queries in the prediction of probable protein targets: explorations in the protein structural profile of Zea mays.

H. Pandya, P. Jha, Sivakumar Prasanth Kumar, 2014, Molecular bioSystems.

An integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculations

H. Pandya, Sivakumar Prasanth Kumar, R. Rawal, 2019, Journal of biomolecular structure & dynamics.

Molecular modeling of Plasmodium falciparum peptide deformylase and structure-based pharmacophore screening for inhibitors

P. Jha, Sivakumar Prasanth Kumar, A. Manhas, 2016 .

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2021, Scientific Reports.

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2020, Molecular Diversity.

Evolutionary and Molecular Aspects of Indian Tomato Leaf Curl Virus Coat Protein

H. Pandya, Sivakumar Prasanth Kumar, Y. Jasrai, 2012, International journal of plant genomics.

Novel cationic fullerene derivatized s-triazine scaffolds as photoinduced DNA cleavage agents: design, synthesis, biological evaluation and computational investigation

Nikunj N. Valand, U. Harikrishnan, S. Menon, 2013 .

In silico targeting PAD4 for the treatment of rheumatoid arthritis

H. Pandya, Sivakumar Prasanth Kumar, Mehul N Soni, 2019, Structural Chemistry.

Design, Synthesis, Biological Evaluation, and Molecular Modeling of Coumarin–Piperazine Derivatives as Acetylcholinesterase Inhibitors

Sivakumar Prasanth Kumar, Y. Jasrai, K. Chikhalia, 2013, Archiv der Pharmazie.

Computational investigation of ginkgetin and theaflavin as potential inhibitors of heat shock protein 90 (Hsp90)

Sivakumar Prasanth Kumar, N. Jain, Pujan Pandya, 2021, Journal of biomolecular structure & dynamics.

Compound prioritization from inverse docking experiment using receptor‐centric and ligand‐centric methods: a case study on Plasmodium falciparum Fab enzymes

Yogesh T Jasrai, Sivakumar Prasanth Kumar, Himanshu A Pandya, 2014, Journal of molecular recognition : JMR.

Exploration of Mycobacterium tuberculosis structural proteome: An in-silico approach.

Sivakumar Prasanth Kumar, Mohsin Y. Lone, Mohd Athar, 2018, Journal of theoretical biology.

Targeting leukemic stem cell subpopulation in AML using phytochemicals: An in-silico and in-vitro approach

Sivakumar Prasanth Kumar, Maulik Patel, K. Bhadresha, 2023, Comput. Biol. Medicine.

Theaflavin-3-gallate, a natural antagonist for Hsp90: In-silico and in-vitro approach.

C. Patel, Sivakumar Prasanth Kumar, Pujan Pandya, 2021, Chemico-biological interactions.

Innate sensing pathways: Defining new innate immune and inflammatory cell death pathways has shaped translational applications

T. Kanneganti, Sivakumar Prasanth Kumar, Rebecca E. Tweedell, 2023, PLoS biology.

MHC2AffyPred: A machine‐learning approach to estimate affinity of MHC class II peptides based on structural interaction fingerprints

H. Pandya, Sivakumar Prasanth Kumar, Saumya K. Patel, 2022, Proteins.

Biocomputational Analysis of Filaggrin Sequence Repeats for Rheumatoid Arthritis

P. Srinivasan, Sivakumar Prasanth Kumar, Y. Jasrai, 2012 .

Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes

Sivakumar Prasanth Kumar, Sivakumar Prasanth Kumar, 2018, Journal of Molecular Modeling.

PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.

Sivakumar Prasanth Kumar, Sivakumar Prasanth Kumar, 2018, Journal of molecular graphics & modelling.

Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding

Sivakumar Prasanth Kumar, Chirag N. Patel, Prakash Chandra Jha, 2017, Comput. Biol. Chem..

Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics

Sivakumar Prasanth Kumar, Prakash Chandra Jha, Prabodh Ranjan, 2017, Comput. Biol. Chem..

Development of cardiotoxicity model using ligand-centric and receptor-centric descriptors

Sivakumar Prasanth Kumar, Chirag N Patel, Rakesh M Rawal, 2020 .

Retrieval of promiscuous natural compounds using multiple targets docking strategy: A case study on kinase polypharmacology

Sivakumar Prasanth Kumar, Chirag N. Patel, Himanshu A. Pandya, 2017, 2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM).

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2020, Molecular diversity.

Identification and characterization of known and new miRNAs from Nicotiana tabacum and nta-miR156's predictive role in Wnt Signalling Pathway

Sivakumar Prasanth Kumar, Saumya K. Patel, Naman Mangukia, 2023, Advances in Cancer Biology - Metastasis.

PharmRF: A machine‐learning scoring function to identify the best protein‐ligand complexes for structure‐based pharmacophore screening with high enrichments

H. Pandya, C. Patel, Sivakumar Prasanth Kumar, 2022, J. Comput. Chem..

A computational model for non-conserved mature miRNAs from the rice genome

H. Pandya, Sivakumar Prasanth Kumar, Y. Jasrai, 2014, SAR and QSAR in environmental research.