title: A novel formulation of veggies with potent anti-migraine activity.
abstract: Calcitonin gene-related peptide (CGRP) is involved in triggering migraine. Many strategies for antimigraine drug designing have been employed using various CGRP antagonist/ligands but most of them have failed due to their inability to reach target CGRP receptor as they get metabolised before conferring their pharmacological action and they are also toxic to the liver. In the present study, we evaluated the binding of our active ligands present in real veggies with the CGRP receptor crystal structure and compared their binding energy and affinity with other reference anti-migraine drugs/ligands present in the market. A high-throughput screening comprising of molecular docking, Absorption, Distribution, Metabolism, Excretion and Toxicity predictions, logP values and % of human oral absorption value led to the identification of two potential compounds present in live green real veggies which could be considered for anti-migraine activity with better binding affinities than the reference drugs used and with liver-protective properties.
authors: Neiss Wellness India Limited, Mumbai 400064, India.
authors: Mohit M
authors: MM
authors: Jain
authors: Neiss Wellness India Limited, Mumbai 400064, India.
authors: Nirmala
authors: N
authors: Kumari
authors: Department of Molecular and Human Genetics, Banaras Hindu University, Varanasi 221005, India.
authors: Geeta
authors: G
authors: Rai
mesh_terms: D015740:Calcitonin Gene-Related Peptide / Q000037:antagonists & inhibitors* / Q000378:metabolism; D000077221:Calcitonin Gene-Related Peptide Receptor Antagonists; D003198:Computer Simulation; D055808:Drug Discovery; D006801:Humans; D008881:Migraine Disorders / Q000178:diet therapy* / Q000188:drug therapy / Q000378:metabolism; D062105:Molecular Docking Simulation; D010936:Plant Extracts / Q000737:chemistry / Q000493:pharmacokinetics / Q000494:pharmacology*; D018015:Receptors, Calcitonin Gene-Related Peptide / Q000737:chemistry / Q000378:metabolism; D014675:Vegetables / Q000737:chemistry*
chemical_list: D000077221:Calcitonin Gene-Related Peptide Receptor Antagonists; D010936:Plant Extracts; D018015:Receptors, Calcitonin Gene-Related Peptide; D015740:Calcitonin Gene-Related Peptide