Antimigraine activity of Asarinin by OPRM1 pathway with multifaceted impacts through network analysis

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Aug. 30, 2024

Migraine is a debilitating neurological disorder impacting millions worldwide. Calcitonin Gene-Related Peptide (CGRP) has emerged as key player in migraine pathophysiology, leading to the development of targeted therapies. This study reviews novel CGRP-targeted treatments, including monoclonal antibodies small molecule inhibitors/nutraceuticals and introduces Asarinin potential modulator pathway. Asarinin, natural compound found various plants, examined for its pharmacological management. Pharmacokinetic assessments, toxicological modelling, molecular property analysis, network pharmacology were conducted. Molecular docking dynamics studies with CGRP reveal interactions, providing foundation understanding Asarinin's therapeutic effects. favourable pharmacokinetics, safety profile, bioactivity, supporting candidacy agent. In-depth receptor (PDB: 6ZHO) demonstrate strong binding affinity (- 10.3kcal/mol), while simulations unveil dynamic behavior Asarinin-CGRP complex, 10.53 kcal/mol) Atogepant-CGRP complex. Network analysis highlights proteins pathology, indicating efficacy. The groundwork future investigations, suggests promising candidate management by targeting OPRM1 integration diverse assessments provides comprehensive paves way further preclinical clinical research.

Language: Английский

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Targeting urotensin II with silymarin: potential therapeutic strategies for diabetes and associated cardiovascular complications

Phytochemistry Reviews, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 20, 2024

Language: Английский

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Unveiling the Molecular Mechanisms and Clinical Implications of Maslinic Acid in Diabetes Mellitus: Insights from Network Pharmacology

Aspects of Molecular Medicine, Journal Year: 2024, Volume and Issue: unknown, P. 100060 - 100060

Published: Dec. 1, 2024

Language: Английский

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Metformin's modulation of gut microbiota and its implications for non-alcoholic fatty liver disease: A network pharmacology and molecular dynamics study

Human Gene, Journal Year: 2024, Volume and Issue: unknown, P. 201364 - 201364

Published: Dec. 1, 2024

Language: Английский

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Unveiling the therapeutic potential of quercetin and its metabolite (Q3OG) for targeting inflammatory pathways in Crohn's disease: A network pharmacology and molecular dynamics approach

Human Gene, Journal Year: 2024, Volume and Issue: unknown, P. 201372 - 201372

Published: Dec. 1, 2024

Language: Английский

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