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Computer-aided drug design of Azadirachta indica compounds against nervous necrosis virus by targeting grouper heat shock cognate protein 70 (GHSC70): quantum mechanics calculations and molecular dynamic simulation approaches |
Sk Injamamul Islam, Saloa Saloa, Sarower Mahfuj, Md Jakiul Islam, Moslema Jahan Mou |
Genomics Inform. 2022;20(3):e33 Published online September 30, 2022 DOI: https://doi.org/10.5808/gi.21063 |
Computer-aided drug design of Azadirachta indica compounds against nervous necrosis virus by targeting grouper heat shock cognate protein 70 (GHSC70): quantum mechanics calculations and molecular dynamic simulation approaches Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARS-CoV-2 protein targets Oral immunizations with Bacillus subtilis spores expressing MCP protein provide protection against red-spotted grouper nervous necrosis virus (RGNNV) infection in juvenile grouper, Epinephelus coioides Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2) The antiviral role of heat shock protein 27 against red spotted grouper nervous necrosis virus infection in sea perch The coordination of the catalytic zinc ion in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculations Heat shock protein 72 (HSP72); heat shock cognate 70 (HSC70) Heat calculations by computer |