Priyanka Purohit

Brahmapur, OR, India

Last Updated: 09/26/2026

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Found 8 publications

Bioactive fungal compounds as potential anti-HIV agents against HIV-1 protease: a multi-faceted molecular modelling approach for drug discovery.

Bioactive fungal compounds as potential anti-HIV agents against HIV-1 protease: a multi-faceted molecular modelling approach for drug discovery.

Journal: Journal of biomolecular structure & dynamics

Published: April 21, 2025

Recent advances in phytocompounds as potential Chikungunya virus non-structural protein 2 protease antagonists: A systematic review.

Recent advances in phytocompounds as potential Chikungunya virus non-structural protein 2 protease antagonists: A systematic review.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology

Published: July 09, 2024

Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistance.

Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistance.

Journal: Journal of biomolecular structure & dynamics

Published: August 21, 2023

Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease.

Investigating Lycotoxin-An1a (An1a), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease.

Journal: Computational biology and chemistry

Published: August 11, 2023

Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation investigations.

Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation investigations.

Journal: Journal of biomolecular structure & dynamics

Published: May 17, 2023

Functionalized carbon nanotubes as an alternative to traditional anti-HIV-1 protease inhibitors: An understanding towards Nano-medicine development through MD simulations.

Functionalized carbon nanotubes as an alternative to traditional anti-HIV-1 protease inhibitors: An understanding towards Nano-medicine development through MD simulations.

Journal: Journal of molecular graphics & modelling

Published: June 07, 2022

Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies.

Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies.

Journal: Journal of molecular modeling

Published: April 13, 2022

Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 Mpro: an in silico approach towards drug repurposing.

Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 Mpro: an in silico approach towards drug repurposing.

Journal: Journal of biomolecular structure & dynamics

Published: April 07, 2022

Showing 1-8 of 8

Last Updated: 09/26/2026