A novel supramolecular nanodrugs for improving the cognitive function of schizophrenia by protecting active lactone of arecoline

Biomedicine & Pharmacotherapy, Journal Year: 2025, Volume and Issue: 183, P. 117845 - 117845

Published: Jan. 17, 2025

Language: Английский

Molecular Docking Appraisal of Pleurotus ostreatus Phytochemicals as Potential Inhibitors of PI3K/Akt Pathway for Breast Cancer Treatment

Bioinformatics and Biology Insights, Journal Year: 2025, Volume and Issue: 19

Published: Jan. 1, 2025

Introduction: Breast cancer (BC) is a heterogeneous disease involving network of numerous extracellular signal transduction pathways. The phosphoinositide 3-kinase (PI3K)/serine/threonine kinase (Akt)/mechanistic target rapamycin (mTOR) pathway crucial for understanding the BC development. Phosphoinositide 3-kinase, phosphatase and tensin homolog (PTEN), mTOR, Akt, 3-phosphoinositide-dependent 1 (PDK1), FoxO1, glycogen synthase 3 (GSK-3), mouse double minute 2 (MDM2), H-Ras, proapoptotic B-cell lymphoma (BCL-2) family protein (BAD) proteins are key drivers this potential therapeutic targets. Pleurotus ostreatus an edible mushroom that rich in flavonoids phenols can serve as inhibitors PI3K/Akt/mTOR pathway. Aim: This study evaluated anticancer properties P through structure-based virtual screening 22 biologically active compounds present mushroom. Method: Model optimization was carried out on PI3K, PTEN, PDK1, GSK-3, MDM2, BAD molecular docking compounds/control binding pocket were simulated AutoDock Vina PyRx. drug likeness, pharmacokinetic, pharmacodynamic features prospective leads all anticipated. Result: Several potent selected driver identified from ostreatus. Ellagic acid with affinities −8.0, −8.1, −8.2, −6.2, −7.1 kcal/mol BAD, respectively, had better affinity compared their reference drugs. Likewise, apigenin (−7.8 kcal/mol), chrysin quercetin (−6.4 chlorogenic (−6.2 kcal/mol) to H-Ras proteins, respectively. Conclusion: acid, apigenin, luteolin, quercetin, chrysin, naringenin phytochemicals seen lead molecules due ability strongly bind under Analogs these also be designed

Language: Английский

Tannins as Therapeutic in Managing Obesity and Beyond

Current Pharmacology Reports, Journal Year: 2025, Volume and Issue: 11(1)

Published: March 5, 2025

Language: Английский