Current medicinal chemistry · 2026
Therapeutic potential of Corydalis alkaloids in polycystic ovary syndrome: In silico and preliminary In vitro Insights into ESR1 and SRC-associated pathways.
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Fatima Israr, Rehman Abdur, Rehman Hafeez Ur, Warraich Dawood Ahmad, Aldaw Mohamed, Meng Yuxuan, Liao Mingzhi
Аннотация
OBJECTIVE: Polycystic Ovary Syndrome (PCOS) is a complex endocrine disorder affecting a substantial population of women of reproductive age, associated with a variety of long-term health complications. This study aimed to explore the pharmacological potential of traditional medicinal plants Corydalis bungeana Turcz. and Corydalis decumbens (Thunb.) Pers. in treating PCOS using a network pharmacology approach.
METHODS: A comprehensive phytochemical database was constructed, and potential compounds were analyzed for drug-likeness and oral bioavailability. Microarray datasets GSE98595 and GSE34526 were utilized to identify differentially expressed genes associated with PCOS. Subsequent network construction, pathway enrichment analysis, and molecular docking and simulation studies were conducted to ascertain the interaction of plant compounds with PCOS-related targets.
RESULTS: The study identified 104 genes at the intersection of plant-derived compounds and PCOS-related genes. The anti-inflammatory and metabolic regulatory pathways emerged as key areas where these compounds could exert therapeutic effects. Molecular docking and dynamic simulations at 100 ns indicated strong binding affinities of selected phytochemicals to ESR1 and SRC proteins, suggesting their potential to modulate critical pathways involved in PCOS.
CONCLUSION: C. bungeana Turcz. and C. decumbens (Thunb.) Pers. possess a range of bioactive compounds with potential therapeutic effects on PCOS. The network pharmacology approach unveiled the multi-faceted interactions of these compounds with PCOS-related biological pathways, providing a foundation for the development of novel, multi-targeted therapeutic strategies for PCOS. Further experimental and clinical validation is required to translate these findings into tangible clinical benefits.
METHODS: A comprehensive phytochemical database was constructed, and potential compounds were analyzed for drug-likeness and oral bioavailability. Microarray datasets GSE98595 and GSE34526 were utilized to identify differentially expressed genes associated with PCOS. Subsequent network construction, pathway enrichment analysis, and molecular docking and simulation studies were conducted to ascertain the interaction of plant compounds with PCOS-related targets.
RESULTS: The study identified 104 genes at the intersection of plant-derived compounds and PCOS-related genes. The anti-inflammatory and metabolic regulatory pathways emerged as key areas where these compounds could exert therapeutic effects. Molecular docking and dynamic simulations at 100 ns indicated strong binding affinities of selected phytochemicals to ESR1 and SRC proteins, suggesting their potential to modulate critical pathways involved in PCOS.
CONCLUSION: C. bungeana Turcz. and C. decumbens (Thunb.) Pers. possess a range of bioactive compounds with potential therapeutic effects on PCOS. The network pharmacology approach unveiled the multi-faceted interactions of these compounds with PCOS-related biological pathways, providing a foundation for the development of novel, multi-targeted therapeutic strategies for PCOS. Further experimental and clinical validation is required to translate these findings into tangible clinical benefits.