2023 | Parth Sarthi Sen Gupta

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Publications in 2023

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In silico evaluation of S-adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular

Journal of Biomolecular Structure and Dynamics, 1-18 (2023)

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Unmasking an allosteric binding site of the papain-like protease in SARS-CoV-2: molecular dynamics simulations of corticosteroids

The Journal of Physical Chemistry Letters 14 (45), 10278-10284 (2023)

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Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: in silico predictions, synthesis, docking and molecular dynamics simulation studies

Journal of Biomolecular Structure and Dynamics 41 (16), 8068-8080 (2023)

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Exploring antiviral potency of N-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular

Computational Biology and Chemistry 106, 107910 (2023)

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Interaction between coronavirus and hosts

Frontiers (2023)

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Identification and investigation of a cryptic binding pocket of the P37 envelope protein of monkeypox virus by molecular dynamics simulations

The Journal of Physical Chemistry Letters 14 (13), 3230-3235 (2023)

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Insights into the binding mechanism of ascorbic acid and violaxanthin with violaxanthin de-epoxidase (VDE) and chlorophycean violaxanthin de-epoxidase (CVDE) enzymes

Photosynthesis Research, 1-18 (2023)

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Cell Surface Fibroblast Activation Protein-2 (Fap2) of Fusobacterium nucleatum as a Vaccine Candidate for Therapeutic Intervention of Human Colorectal Cancer

Vaccines 11 (3), 525 (2023)

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Reverse vaccinology assisted design of a novel multi-epitope vaccine to target Wuchereria bancrofti cystatin: An immunoinformatics approach

International Immunopharmacology 115, 109639 (2023)

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Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine: docking and molecular dynamics studies to elucidate viral action

Cell Biochemistry and Function 41 (1), 98-111 (2023)

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