Qualitative and Quantitative Analysis of Anti-viral Compounds against SARS-CoV-2 Protease Enzyme by Molecular Dynamics Simulation and MM/PBSA Method

Saghi Sepehri ^1,2 * , Niloufar Hashemidanesh ^1,3, Karim Mahnam ⁴, Hila Asham ^1,3

Cited by CrossRef: 2

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2- Shakour N, Fayyaz A, Hadizadeh F, Sepehri S, Banerjee B. Rational Design of Novel Inhibitors: Integrating 3D‐QSAR and Molecular Dynamics. BioMed Research International. 2026;2026(1) [Crossref]

3- Molaei S, Farhadi G, Talezari M, Gholizadeh N, Mahnam K, Keivanloo A, Sepehri S. One-pot synthesis of polyhydroquinoline-1,2,3-triazole hybrids in deep eutectic solvent as anti-leishmanial agents and molecular modeling studies. Journal of Biomolecular Structure and Dynamics. 2024;42(9):4834 [Crossref]

4- Joel E, Mafulul S, Tijjani H, Lepzem G, Agwaza K, Anga O, Okoh D, Obasi C, Ogbeh E, Kaze K, Ikemu C, Ishaya S, Chukwuma M, Yusuf K, Atsen D, Adetula B, Adeoye R. Evaluating the Antiobesity Potential of Hesperidin and Resveratrol: Analysis of Pancreatic Lipase Inhibition, Molecular Docking Insights, and Pharmacokinetic Profiles . Trop J Nat Prod Res. 2026;10(2):7296 [Crossref]

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