New Insights into the (A)Synchronicity of Diels–Alder Reactions: A Theoretical Study Based on the Reaction Force Analysis and Atomic Resolution of Energy Derivatives

por Isamura, Bienfait Kabuyaya, Lobb, Kevin Alan
Publicado 2022

Comprehensive Assessment of Biomolecular Interactions of Morpholine-Based Mixed Ligand Cu(II) and Zn(II) Complexes of 2,2′-Bipyridine as Potential Anticancer and SARS-CoV-2 Agents:...

por Sakthikumar, Karunganathan, Krause, Rui Werner Maçedo, Isamura, Bienfait Kabuyaya
Publicado 2022

An Integrated Analysis of Mechanistic Insights into Biomolecular Interactions and Molecular Dynamics of Bio-Inspired Cu(II) and Zn(II) Complexes towards DNA/BSA/SARS-CoV-2 3CL(pro)...

por Sakthikumar, Karunganathan, Isamura, Bienfait Kabuyaya, Krause, Rui Werner Maçedo
Publicado 2022

In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical R...

por Matondo, Aristote, Dendera, Washington, Isamura, Bienfait Kabuyaya, Ngbolua, Koto-te-Nyiwa, Mambo, Hilaire V S, Muzomwe, Mayaliwa, Mudogo, Virima
Publicado 2022