{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T13:03:16Z","timestamp":1791378196483,"version":"4.3.2"},"reference-count":57,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,4,19]],"date-time":"2026-04-19T00:00:00Z","timestamp":1776556800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,4,19]],"date-time":"2026-04-19T00:00:00Z","timestamp":1776556800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["iubmb.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Biotech and App Biochem"],"published-print":{"date-parts":[[2026,10]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>Epilepsy is a debilitating neurological disorder that impacts approximately 50 million people worldwide. The treatment of epilepsy with antiepileptic drugs has not achieved effective seizure management and thus requires new therapeutic options. This study investigated the catechins\u2019 affect on epilepsy\u2010related molecular targets using a computational method that combined network pharmacology, molecular docking, and molecular dynamics (MDs) simulation. We fetched 84 catechins\u2010related and 5356 disease\u2010associated targets from various databases, yielding 31 common targets. The protein\u2013protein interaction (PPI) network of 31 common targets identified 10 hub genes, including ALB, INS, brain\u2010derived neurotrophic factor (BDNF), PTGS2, tumor necrosis factor (TNF), IL1B, FOS, IL6, LEP, and FGF2. Further, the functional enrichment analysis revealed that these common targets have a high prevalence in multiple pathways and gene ontology functions. Furthermore, \u201ccompound\u2010target\u201d and \u201ccompound\u2010gene\u2010pathway\u201d networks were constructed and analyzed. Network pharmacology data show TNF, IL1B, and IL6 could influence epilepsy treatment by regulating several pathways. The Cresset Flare Pro+ docking study unveiled that the lead catechin, epigallocatechin gallate (EGCG), exhibited the highest Lead Finder (LF) dG scores of \u221210.2, \u22129.40, and \u22128.15\u00a0kcal\/mol against TNF, IL6, and IL1B, respectively. The electrostatic complementarity and Molecular Mechanics with Generalized Born and surface area (MMGBSA) results supported the docking results. Further, the stability of EGCG\u2010bound complexes was analyzed using a 300\u00a0ns MD simulation. The principal component analysis yielded promising results for the EGCG\u20102AZ5 and EGCG\u20101ALU complexes collective motion. These findings provide computational evidence suggesting that EGCG has a promising scaffold for designing multi\u2010target molecules that could modulate epilepsy, meriting further experimental validation.<\/jats:p>","DOI":"10.1002\/bab.70176","type":"journal-article","created":{"date-parts":[[2026,4,20]],"date-time":"2026-04-20T06:00:31Z","timestamp":1776664831000},"page":"2316-2337","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["A Network Pharmacology and Bioinformatics Approach for Determining the Mechanisms and Molecular Targets of Catechins Against Epilepsy"],"prefix":"10.1002","volume":"73","author":[{"given":"Punam","family":"Salaria","sequence":"first","affiliation":[{"name":"Department of Chemistry, School of Sciences National Institute of Technology Andhra Pradesh  Tadepalligudem Andhra Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Desu 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