Publications by authors named "Sivakumar Prasanth Kumar"

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Computational and experimental investigation of Kaempferol and Quercetin as potential inhibitors of MMP1 in oral cancer.
Vaidehi P Thakore, Sai Swetha Uppalapati, Sivakumar Prasanth Kumar, Amit Mandoli, Prabhudas S Patel

Comput Biol Chem· February 2026

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Identification of an IRF-ZBP1-caspase-8-NINJ1 axis in driving PANoptosis and pathology during alcohol-associated liver disease.
Qiang Qin, Wen Chen, Clay D King, Sivakumar Prasanth Kumar, Chadi A El Farran

Proc Natl Acad Sci U S A· December 2025

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HCK regulates NLRP12-mediated PANoptosis.
Eswar Kumar Nadendla, Priyanshu Alluri, Balamurugan Sundaram, Sivakumar Prasanth Kumar, Sangappa B Chadchan

Proc Natl Acad Sci U S A· May 2025

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Impact of Cancer-Associated PKM2 Mutations on Enzyme Activity and Allosteric Regulation: Structural and Functional Insights into Metabolic Reprogramming.
Saurabh Upadhyay, Mohit Bhardwaj, Sivakumar Prasanth Kumar, Shumayila Khan, Ashwani Kumar

Biochemistry· April 2025

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Evolutionary and Functional Analysis of Caspase-8 and ASC Interactions to Drive Lytic Cell Death, PANoptosis.
Sivakumar Prasanth Kumar, Eswar Kumar Nadendla, R K Subbarao Malireddi, Syed Asfarul Haque, Raghvendra Mall

Mol Biol Evol· April 2025

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The critical role of the ZBP1-NINJ1 axis and IRF1/IRF9 in ethanol-induced cell death, PANoptosis, and alcohol-associated liver disease.
Qiang Qin, Wen Chen, Clay D King, Sivakumar Prasanth Kumar, Peter Vogel

bioRxiv· March 2025

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The NLR family of innate immune and cell death sensors.
Balamurugan Sundaram, Rebecca E Tweedell, Sivakumar Prasanth Kumar, Thirumala-Devi Kanneganti

Immunity· April 2024

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Phytochemical Analysis, In Vitro Biological Activities, and Computer-Aided Analysis of Hook Compounds as Potential Melanoma Inhibitors Based on Molecular Docking, MD Simulations, and ADMET.
Subhash Sharma, Vikas Kumar, Muhammad Yaseen, Amr S Abouzied, Abgeena Arshad, Prasanth Kumar Sivakumar

Molecules· June 2023

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Targeting leukemic stem cell subpopulation in AML using phytochemicals: An in-silico and in-vitro approach.
Jpan Brahmbhatt, Sivakumar Prasanth Kumar, Kinjal Bhadresha, Maulikkumar Patel, Rakesh Rawal

Comput Biol Med· March 2023

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MHC2AffyPred: A machine-learning approach to estimate affinity of MHC class II peptides based on structural interaction fingerprints.
Siddhi P Jani, Sivakumar Prasanth Kumar, Naman Mangukia, Saumya K Patel, Himanshu A Pandya

Proteins· February 2023

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Innate sensing pathways: Defining new innate immune and inflammatory cell death pathways has shaped translational applications.
Rebecca E Tweedell, Sivakumar Prasanth Kumar, Thirumala-Devi Kanneganti

PLoS Biol· February 2023

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Computational investigation of ginkgetin and theaflavin as potential inhibitors of heat shock protein 90 (Hsp90).
Kinjal Bhadresha, Vinal Upadhyay, Sivakumar Prasanth Kumar, Pujan Pandya, Nayan Jain

J Biomol Struct Dyn· December 2022

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Computational investigation of natural compounds as potential main protease (M) inhibitors for SARS-CoV-2 virus.
Chirag N Patel, Siddhi P Jani, Sivakumar Prasanth Kumar, Krunal M Modi, Yogesh Kumar

Comput Biol Med· December 2022

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Repurposing of anticancer phytochemicals for identifying potential fusion inhibitor for SARS-CoV-2 using molecular docking and molecular dynamics (MD) simulations.
Chirag N Patel, Dweipayan Goswami, Prasanth Kumar Sivakumar, Himanshu A Pandya

J Biomol Struct Dyn· October 2022

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PharmRF: A machine-learning scoring function to identify the best protein-ligand complexes for structure-based pharmacophore screening with high enrichments.
Sivakumar Prasanth Kumar, Nandan Y Dixit, Chirag N Patel, Rakesh M Rawal, Himanshu A Pandya

J Comput Chem· May 2022

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Theaflavin-3-gallate, a natural antagonist for Hsp90: In-silico and in-vitro approach.
Kinjal Bhadresha, Sivakumar Prasanth Kumar, Jpan Brahmbhatt, Chirag Patel, Pujan Pandya

Chem Biol Interact· February 2022

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Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (M) inhibitor using docking and molecular dynamics simulations.
Chirag N Patel, Siddhi P Jani, Dharmesh G Jaiswal, Sivakumar Prasanth Kumar, Naman Mangukia

Sci Rep· October 2021

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Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation.
Chirag N Patel, Sivakumar Prasanth Kumar, Himanshu A Pandya, Rakesh M Rawal

Mol Divers· February 2021

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Energetic contributions of amino acid residues and its cross-talk to delineate ligand-binding mechanism.
Sivakumar Prasanth Kumar, Chirag N Patel, Rakesh M Rawal, Himanshu A Pandya

Proteins· September 2020

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An integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculations.
Mehul N Soni, Sivakumar Prasanth Kumar, Kaid Johar S R, Rakesh M Rawal, Himanshu A Pandya

J Biomol Struct Dyn· August 2020

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A multiparametric organ toxicity predictor for drug discovery.
Chirag N Patel, Sivakumar Prasanth Kumar, Rakesh M Rawal, Daxesh P Patel, Frank J Gonzalez

Toxicol Mech Methods· March 2020

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Cardiotonic steroids as potential Na/K-ATPase inhibitors - a computational study.
Chirag N Patel, Sivakumar Prasanth Kumar, Krunal M Modi, Mehul N Soni, Nainesh R Modi

J Recept Signal Transduct Res· June 2019

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Multi-Pharmacophore Modeling of Caspase-3 Inhibitors using Crystal, Dock and Flexible Conformation Schemes.
Sivakumar Prasanth Kumar, Prakash Chandra Jha

Comb Chem High Throughput Screen· January 2019

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MDCKpred: a web-tool to calculate MDCK permeability coefficient of small molecule using membrane-interaction chemical features.
Rikin D Patel, Sivakumar Prasanth Kumar, Himanshu A Pandya, Hitesh A Solanki

Toxicol Mech Methods· November 2018

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

J Mol Model· September 2018

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