Current Medicinal ChemistryCurrent Medicinal ChemistryCurrent Medicinal Chemistry0929-86731875-533XBentham Science64516410.2174/0929867330666230303120942Anti-Infectives and Infectious DiseasesResearch ArticleThe Efficient Activity of Glabridin and its Derivatives Against EGFRmediated Inhibition of Breast CancerGhoshArabindainfo@benthamscience.netGhoshDebanjanainfo@benthamscience.netMukerjeeNobenduinfo@benthamscience.netMaitraSwastikainfo@benthamscience.netDasPadmashreeinfo@benthamscience.netDeyAbhijitinfo@benthamscience.netSharkawiSoutyinfo@benthamscience.netZouganelisGeorgiosinfo@benthamscience.netAlexiouAthanasiosinfo@benthamscience.netChaudhariSomdattainfo@benthamscience.netSharmaRitikainfo@benthamscience.netWaghmareSonaliinfo@benthamscience.netPapadakisMariosinfo@benthamscience.netBatihaGaberinfo@benthamscience.netMicrobiology Division, Department of Botany,, Gauhati UniversitDepartment of Molecular Biology and Biotechnology, Cotton UniversityDepartment of Microbiology, West Bengal State UniversityDepartment of Microbiology, Adamas UniversityCentral Silk Board, Regional OfficeDepartment of Life Sciences, , Presidency UniversityDepartment of Pharmacology and Toxicology, Faculty of Pharmacy, Nahda UniversitySchool of Human Sciences, College of Life and Natural Sciences, University of DerbyDepartment of Science and Engineering, Novel Global Novel Global Community Educational FoundationDepartment of Pharmaceutical Chemistry,, P.E.S Modern College of PharmacyDepartment of Pharmaceutical Chemistry,, University Institute of Pharma Sciences Chandigarh University, Dr. Vithalrao Vikhe Patil College of Pharmacy,Department of Surgery II, University Hospital Witten-Herdecke, Heusnerstrasse 40, University of Witten-HerdeckeDepartment of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University0102202431557359407012025Copyright ©; 2024, Bentham Science Publishers2024Bentham Science Publishershttps://rjraap.com/0929-8673/article/view/645164

Background:Breast cancer (BC) is one of the most typical causes of cancer death in women worldwide. Activated epidermal growth factor receptor (EGFR) signaling has been increasingly associated with BC development and resistance to cytotoxic drugs. Due to its significant association with tumour metastasis and poor prognosis, EGFR-mediated signaling has emerged as an attractive therapeutic target in BC. Mainly in all BC cases, mutant cells over-expresses EGFR. Certain synthetic drugs are already used to inhibit the EGFR-mediated pathway to cease metastasis, with several phytocompounds also revealing great chemopreventive activities.

Methods:This study used chemo-informatics to predict an effective drug from some selected phytocompounds. The synthetic drugs and the organic compounds were individually screened for their binding affinities, with EGFR being the target protein using molecular docking techniques.

Results:The binding energies were compared to those of synthetic drugs. Among phytocompounds, Glabridin (phytocompound of Glycyrrhiza glabra) manifested the best dock value of -7.63 Kcal/mol, comparable to that of the highly effective anti-cancer drug Afatinib. The glabridin derivatives also exhibited comparable dock values.

Conclusion:The AMES properties deciphered the non-toxic features of the predicted compound. Pharmacophore modeling and in silico cytotoxicity predictions also exhibited a superior result assuring their drug likeliness. Therefore, Glabridin can be conceived as a promising therapeutic method to inhibit EGFR-mediated BC.

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