Investıgation of the ADMET Properties of Some Ginkgolide A, B, and C Derivatives as Potential Pharmaceutical Active Ingredients
XXXII Symposium on Bioinformatics and Computer-Aided Drug Discovery (BCADD-2026) , Moscow, Rusya, 19 - 21 Ekim 2026, ss.78, (Özet Bildiri)
- Yayın Türü: Bildiri / Özet Bildiri
- Basıldığı Şehir: Moscow
- Basıldığı Ülke: Rusya
- Sayfa Sayıları: ss.78
- Recep Tayyip Erdoğan Üniversitesi Adresli: Evet
Özet
Ginkgolides, secondary metabolites with a diterpene trilactone structure isolated from Ginkgo biloba L. leaves, are notable for their potent neuroprotective, anti-inflammatory, and PAF (Platelet-Activating Factor) antagonist effects [1]. In this study, the drug potential of 30 different ginkgolide A, B, and C derivatives (Ginkgolide A1–Ginkgolide A10, Ginkgolide B1 – Ginkgolide B10, Ginkgolide C1– Ginkgolide C10) was comprehensively investigated using in silico methods via the ADMETlab 3.0 platform [2]. The molecules were evaluated under eight main headings: physicochemical properties, medicinal chemistry, absorption, distribution, metabolism, excretion, organ/system toxicity, and environmental toxicity. As a result of the multi criteria decision analysis, the top three candidate molecules exhibiting the most balanced pharmacokinetic profile, high oral bioavailability, and low toxicity across the entire series were identified as B8, A5, and C8, respectively.