Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain.

ACS chemical neuroscience - 1 Sept 2021

Tan Shuoyan, Gong Xiaoqing, Liu Huanxiang, Yao Xiaojun

Abstract excerpt

Leucine rich repeat kinase 2 (LRRK2) has been reported in the pathogenesis of Parkinson's disease (PD). Inhibition of LRRK2 kinase activity is a therapeutic approach that may provide new treatments for PD. In this study, novel LRRK2 inhibitors were identified by performing a docking-based virtual screening (VS). Due to the absence of a crystal structure of LRRK2, homology modeling was adopted to model human LRRK2...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Hydrogen Bonding
Share to Leucine-Rich Repeat Serine-Threonine Protein Kinase-2

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Molecular Dynamics Simulation

Share to Mutation

Share to Parkinson Disease

Share to Protein Kinase Inhibitors

Source

Identifiers

PMID: 34387082
DOI: 10.1021/acschemneuro.1c00399

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain.PMID 34387082Read ↗

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

Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling.Semantic proximity Read ↗

Small Molecule Kinase Inhibitors for LRRK2 and Their Application to Parkinson's Disease ModelsSemantic proximity Read ↗

Discovery of potent and selective LRRK2 inhibitors with preserved activity against the G2019S mutant via multi-stage virtual screening.Semantic proximity Read ↗

Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's diseaseSemantic proximity Read ↗

The Development and Design Strategy of Leucine-Rich Repeat Kinase 2 Inhibitors: Promising Therapeutic Agents for Parkinson's Disease.Semantic proximity Read ↗

Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease.Semantic proximity Read ↗

Indolinone based LRRK2 kinase inhibitors with a key hydrogen bond.Semantic proximity Read ↗

Recent advances in targeting leucine-rich repeat kinase 2 as a potential strategy for the treatment of Parkinson's disease.Semantic proximity Read ↗

Structural Insights and Development of LRRK2 Inhibitors for Parkinson's Disease in the Last Decade.Semantic proximity Read ↗

Identification of LRRK2 Inhibitors through Computational Drug Repurposing.Semantic proximity Read ↗

Catalyzing a Cure: Discovery and development of LRRK2 inhibitors for the treatment of Parkinson's disease.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.