Concepedia

Molecular characterization of COVID-19 therapeutics: luteolin as an allosteric modulator of the spike protein of SARS-CoV-2

Walter Alvarado, Gustavo R. Pérez-Lemus, Cintia A. Menéndez, Fabian Byléhn, Juan Pablo

Molecular Systems Design & Engineering · 2021 · 14 citations · 22 references

DOI

Concepts

Abstract

The interactions between the receptor binding domain (RBD) of SARS-CoV-2 and the angiotensin-converting enzyme 2 (ACE2) are crucial for viral entry and subsequent replication.

References

22

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 23.9K citations · Full text

A pneumonia outbreak associated with a new coronavirus of probable bat origin

Peng Zhou, Xing‐Lou Yang, Xian-Guang Wang et al. · Nature · 2020 · 23.1K citations · Full text

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

Markus Hoffmann, Hannah Kleine‐Weber, Simon Schroeder et al. · Cell · 2020 · 21.1K citations · Full text

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Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

Daniel Wrapp, Nianshuang Wang, Kizzmekia S. Corbett et al. · Science · 2020 · 9.7K citations · Full text

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.3K citations

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