Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods [version 1; peer review: 2 approved]

Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods [version 1; peer review: 2 approved]

Background: Heat shock protein (Hsp90KDa) is a molecular chaperone involved in the process of cellular oncogenesis, hence its importance as a therapeutic target in clinical trials. Geldanamycin is an inhibitor of Hsp90 chaperone activity, which binds to the ATP binding site in the N-terminal domain...

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Main Authors: Ricardo Vivas-Reyes, Alejando Morales-Bayuelo, Carlos Gueto, Juan C. Drosos, Johana Márquez Lázaro, Rosa Baldiris, Maicol Ahumedo, Catalina Vivas-Gomez, Dilia Aparicio
Format: Article
Language:English
Published: F1000 Research Ltd 2019-12-01
Series:F1000Research
Online Access:https://f1000research.com/articles/8-2040/v1

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