{"doi":"10.1016/j.drudis.2025.104446","title":"Development of LRRK2 inhibitors through computational strategies: a promising avenue for Parkinson’s disease","abstract":null,"journal":"Drug Discovery Today","year":2025,"id":632484,"datarank":0.16479184330021646,"base_score":1.0986122886681096,"endowment":1.0986122886681096,"self_citation_contribution":0.16479184330021646,"citation_network_contribution":0.0,"self_endowment_contribution":0.16479184330021646,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":2,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1639513,"name":"Shuoyan Tan","orcid":null,"position":1,"is_corresponding":false},{"id":1255547,"name":"Yuwei Yang","orcid":"0000-0002-1847-5464","position":2,"is_corresponding":false},{"id":597274,"name":"Yang Yu","orcid":"0000-0002-9477-2313","position":3,"is_corresponding":false},{"id":168689,"name":"Xiaojun Yao","orcid":"0000-0002-8974-0173","position":4,"is_corresponding":false},{"id":1639517,"name":"Huanxiang Liu","orcid":"0000-0002-9284-3667","position":5,"is_corresponding":false},{"id":1639512,"name":"Xiaoqing Gong","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Development of LRRK2 inhibitors through computational strategies: a promising avenue for Parkinson’s disease","abstract":"Parkinson's disease (PD) is a prevalent neurodegenerative disorder that remains incurable. Leucine-rich repeat kinase 2 (LRRK2) has a pivotal role in PD pathogenesis, making it a promising therapeutic target. Thus, there is an urgent need to develop structurally diverse, highly selective, blood-brain barrier (BBB)-permeable LRRK2 inhibitors. Computer-aided and artificial intelligence (AI)-driven drug design methods have shown significant advantages in the discovery of LRRK2 inhibitors. Building upon a systematic review of structural characteristics, biological functions, and molecular mechanisms of LRRK2, in this review, we summarize recent advances in LRRK2 inhibitor development, highlighting the pivotal role of computational approaches in accelerating inhibitor discovery.","is_dataset_classified":null,"base_score":1.0986122886681096,"endowment":1.0986122886681096,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"40769274","pmcid":null,"openalex_id":"https://openalex.org/W4413048370","authors":[],"funders":[{"funder_name":"Fund for the Development of Science and Technology","grant_id":"0091/2022/A2","title":null}],"total_grants":1,"fwci":1.5492,"citation_percentile":0.83460695,"influential_citations":0,"citation_trend":[{"year":2025,"count":1},{"year":2026,"count":1}],"oa_status":"closed","license":"https://doi.org/10.15223/policy-004","oa_locations":[{"url":"https://api.elsevier.com/content/article/PII:S135964462500159X?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S135964462500159X?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/j.drudis.2025.104446","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/40769274","host_type":"repository"}],"fields_of_study":["Parkinson's Disease Mechanisms and Treatments","Computational Drug Discovery Methods","Plant biochemistry and biosynthesis","Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","Humans","Parkinson Disease","Protein Kinase Inhibitors","Drug Design","Animals","Drug Development","Artificial Intelligence","Blood-Brain Barrier","Drug Discovery"],"mesh_terms":["Leucine-Rich Repeat Serine-Threonine Protein Kinase-2","Drug Development","Animals","Artificial Intelligence","Blood-Brain Barrier","Humans","Parkinson Disease","Drug Design","Protein Kinase Inhibitors","Drug Discovery"],"keywords":["LRRK2","Drug discovery","Parkinson's disease","Disease","Drug development","Computational biology","Expert opinion","Kinase","Neuroscience","Medicine","Bioinformatics","Drug","Biology","Pharmacology","Intensive care medicine","Pathology","Genetics","computer-aided drug design","Parkinson’s Disease","Lrrk2 Inhibitors","Ai-driven Drug Design"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Good health and well-being"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-06T09:51:24.024225Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}