Author

Madhusmita Panda

Observed name: Panda, Madhusmita

Institution: Berhampur University

Observed institution: Berhampur University

ORCID: 0000-0002-4736-0105

Observed ORCID: 0000-0002-4736-0105

OpenAlex ID: A5032520426

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

2022 · Priyanka Purohit, Sthitaprajna Sahoo, et al. · Journal of Molecular Modeling · 45

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

2023 · Priyanka Purohit, Debashis Barik, et al. · Journal of Biomolecular Structure and Dynamics · 12

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

2022 · Madhusmita Panda, Priyanka Purohit, et al. · Journal of Molecular Graphics and Modelling · 12

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

2023 · Priyanka Purohit, Madhusmita Panda, et al. · Journal of Biomolecular Structure and Dynamics · 11

Structure-based virtual screening, ADMET profiling, and molecular dynamics simulation studies on HIV-1 protease for identification of active phytocompounds as potential anti-HIV agents

2022 · Madhusmita Panda, Priyanka Purohit, et al. · Molecular Simulation · 11

Evaluating the Antiviral Potential of Phytocompounds from Mesua ferrea against SARS‐CoV‐2 Main Protease: Structure‐Based Virtual Screening and Molecular Dynamics Simulation Investigations

2023 · Priyanka Purohit, Partha Sarathi Sahoo, et al. · ChemistrySelect · 7

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

2024 · Jarmani Dansana, Priyanka Purohit, et al. · Phytomedicine · 6

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

2025 · Madhusmita Panda, Priyanka Purohit, et al. · Journal of Biomolecular Structure and Dynamics · 2

Molecular surveillance of Kelch-13 gene in Plasmodium falciparum field isolates from Mayurbhanj District, Odisha, India, and in silico artemisinin-Kelch-13 protein interaction study

2023 · Laxman Kumar Murmu, Madhusmita Panda, et al. · Parasitology Research · 2

Deciphering the Antagonistic Nature of Phytocompounds Against Chikungunya Virus nsP2 Protease: A Combined Virtual Screening, Docking, Molecular Dynamics, and DFT Investigation

2026 · Jarmani Dansana, Madhusmita Panda, et al. · ChemistrySelect

Works count: 12

Citation count: 108

H-index: 6

I10-index: 5