Search Results - "Prasanth Kumar, Sivakumar"

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

“…The past 20 years of research has elucidated new innate immune sensing and cell death pathways with disease relevance. Future molecular characterization of…”
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Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes by Kumar, Sivakumar Prasanth

“…Ensemble methods are gaining more importance in structure-based approaches as single protein-ligand complexes strongly influence the outcomes of virtual…”
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Targeting leukemic stem cell subpopulation in AML using phytochemicals: An in-silico and in-vitro approach by Brahmbhatt, Jpan, Kumar, Sivakumar Prasanth, Bhadresha, Kinjal, Patel, Maulikkumar, Rawal, Rakesh

“…It has been indicated that leukemic stem cells (LSCs), a subset of leukaemia cells, are responsible for therapy resistance and relapse in acute myeloid…”
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Energetic contributions of amino acid residues and its cross‐talk to delineate ligand‐binding mechanism by Kumar, Sivakumar Prasanth, Patel, Chirag N., Rawal, Rakesh M., Pandya, Himanshu A.

“…Receptor‐based QSAR approaches can enumerate the energetic contributions of amino acid residues toward ligand binding only when experimental binding affinity…”
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Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus by Patel, Chirag N., Jani, Siddhi P., Prasanth Kumar, Sivakumar, Modi, Krunal M., Kumar, Yogesh

“…The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is significantly impacting human lives,…”
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Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations by Patel, Chirag N., Jani, Siddhi P., Jaiswal, Dharmesh G., Kumar, Sivakumar Prasanth, Mangukia, Naman, Parmar, Robin M., Rawal, Rakesh M., Pandya, Himanshu A.

“…Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19), poses a great challenge to the public health care system. Among other druggable…”
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MHC2AffyPred: A machine‐learning approach to estimate affinity of MHC class II peptides based on structural interaction fingerprints by Jani, Siddhi P., Kumar, Sivakumar Prasanth, Mangukia, Naman, Patel, Saumya K., Pandya, Himanshu A., Rawal, Rakesh M.

“…Understanding how MHC class II (MHC‐II) binding peptides with differing lengths exhibit specific interaction at the core and extended sites within the large…”
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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 by Kumar, Sivakumar Prasanth, Dixit, Nandan Y., Patel, Chirag N., Rawal, Rakesh M., Pandya, Himanshu A.

“…Structure‐based pharmacophore models are often developed by selecting a single protein‐ligand complex with good resolution and better binding affinity data…”
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Evolutionary and Molecular Aspects of Indian Tomato Leaf Curl Virus Coat Protein by Kumar, Sivakumar Prasanth, Patel, Saumya K., Kapopara, Ravi G., Jasrai, Yogesh T., Pandya, Himanshu A.

“…Tomato leaf curl disease (ToLCD) is manifested by yellowing of leaf lamina with upward leaf curl, leaf distortion, shrinking of the leaf surface, and stunted…”
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Phytochemical Analysis, In Vitro Biological Activities, and Computer-Aided Analysis of Potentilla nepalensis Hook Compounds as Potential Melanoma Inhibitors Based on Molecular Docking, MD Simulations, and ADMET by Sharma, Subhash, Kumar, Vikas, Yaseen, Muhammad, S Abouzied, Amr, Arshad, Abgeena, Bhat, Mashooq Ahmad, Naglah, Ahmed M, Patel, Chirag N, Sivakumar, Prasanth Kumar, Sourirajan, Anuradha, Shahzad, Adnan, Dev, Kamal

“…Hook is a perennial Himalayan medicinal herb of the Rosaceae family. The present study aimed to evaluate biological activities such as the antioxidant,…”
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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 by Pandya, Pujan N., Kumar, Sivakumar Prasanth, Bhadresha, Kinjal, Patel, Chirag N., Patel, Saumya K., Rawal, Rakesh M., Mankad, Archana U.

“…Murraya koenigii (Linn.) Spreng, commonly known as curry leaf tree, is popular as a condiment and spice among Asian countries. Ethnobotanical studies suggest…”
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Multi-Pharmacophore Modeling of Caspase-3 Inhibitors using Crystal, Dock and Flexible Conformation Schemes by Kumar, Sivakumar Prasanth, Jha, Prakash Chandra

“…Numerous caspase-3 drug discovery projects were found to have relied on single receptor as the template to recognize most promising small molecule candidates…”
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Identification and characterization of known and new miRNAs from Nicotiana tabacum and nta-miR156's predictive role in Wnt Signalling Pathway by Bhavsar, Mansi, Mangukia, Naman, Kumar, Sivakumar Prasanth, Patel, Saumya, Rawal, Rakesh, Mankad, Archana

“…Computational methods have driven the rapid identification of tobacco microRNAs (miRNAs) from tissue-specific sequence data and witnessed success in…”
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MDCKpred: a web-tool to calculate MDCK permeability coefficient of small molecule using membrane-interaction chemical features by Patel, Rikin D., Prasanth Kumar, Sivakumar, Pandya, Himanshu A., Solanki, Hitesh A.

“…Structure-based models to understand the transport of small molecules through biological membrane can be developed by enumerating intermolecular interactions…”
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In silico targeting PAD4 for the treatment of rheumatoid arthritis by Soni, Mehul N., Kumar, Sivakumar Prasanth, Johar SR, Kaid, Pandya, Himanshu A.

“…Rheumatoid arthritis (RA) is an autoimmune disorder that causes chronic inflammation with periodic bursts of activity in multiple synovial joints which lead to…”
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Ameliorative effects of curcumin towards cyclosporine-induced genotoxic potential: an in vitro and in silico study by Shah, Ankita J., Prasanth Kumar, Sivakumar, Rao, Mandava V., Pandya, Himanshu A.

“…Several studies documented the ameliorative effects of curcumin which plays a pivotal role in radical scavenging activities. It also participates in various…”
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Pharmacophore-similarity-based QSAR (PS-QSAR) for group-specific biological activity predictions by Prasanth Kumar, Sivakumar, Jasrai, Yogesh T., Pandya, Himanshu A., Rawal, Rakesh M.

“…Recent technological breakthroughs in medicinal chemistry arena had ameliorated the perspectives of quantitative structure-activity relationship (QSAR)…”
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PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions by Kumar, Sivakumar Prasanth

“…[Display omitted] •PLHINT – uses knowledge gained from native-like dock poses.•Uses multiple protein-ligand complexes to derive H bond patterns and…”
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Theaflavin-3-gallate, a natural antagonist for Hsp90: In-silico and in-vitro approach by Bhadresha, Kinjal, Kumar, Sivakumar Prasanth, Brahmbhatt, Jpan, Patel, Chirag, Pandya, Pujan, Jain, Nayan, Rawal, Rakesh

“…Poor prognosis and metastasis have been recognized as the major cause of breast cancer related deaths worldwide. Recent experimental evidence has shown that…”
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Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening by Kumar, Sivakumar Prasanth, Jha, Prakash Chandra

“…Enormous caspase-3-non-peptide crystal structures have been developed to study the structural basis of caspase-3 enzyme inhibition using active site directed…”
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