Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2

Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2

Missense mutations of leucine-rich repeat kinase 2 (LRRK2), including the G2019S mutant, are responsible for the pathogenesis of Parkinson’s disease. In this work, structure-based virtual screening of a large chemical library was carried out to identify a number of novel inhibitors of the G2019S mut...

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Bibliographic Details
Main Authors: Hwangseo Park, Taeho Kim, Kewon Kim, Ahyoung Jang, Sungwoo Hong
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:International Journal of Molecular Sciences
Subjects:
virtual screening
de novo design
LRRK2 inhibitor
G2019S mutant
Parkinson’s disease
Online Access:https://www.mdpi.com/1422-0067/23/21/12825

Internet

https://www.mdpi.com/1422-0067/23/21/12825

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