In Silico Analysis of Syzygium calophyllifolium Phytocompounds with Type 2 Diabetes Mellitus Targets

Pavithran Balasubramanian, Saikumar Sathyanarayanan, Rahul Chandran, Heidi Abrahamse, Parimelazhagan Thangaraj

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

This study explores the potential of phytochemical compounds derived from Syzygium calophyllifolium for the treatment of diabetes mellitus through a comprehensive computational approach. Using in silico techniques, including molecular docking and ADMET analysis, we investigated the binding patterns and pharmacokinetic properties of selected compounds with the insulin receptor tyrosine kinase. Our results indicate that 1,3-propanediamine, n′-(3(dimethylamino)-n-n-dimethyl exhibits promising binding affinity and efficacy comparable to the standard drug acarbose, suggesting its potential as an effective treatment option. Additionally, we elucidated the structural characteristics and functional roles of the insulin receptor, shedding light on the mechanism of insulin signal transduction and action. Furthermore, we highlight the significance of phytochemicals as a valuable source for drug discovery, emphasizing their potential in providing novel therapeutic solutions with enhanced bioavailability and reduced toxicity. Overall, our findings underscore the utility of computational techniques in identifying promising drug candidates, paving the way for the development of effective treatments for diabetes mellitus and other complex diseases.

Original languageEnglish
Title of host publicationPomotherapeutic Insights on Wild Edible Fruits
PublisherSpringer Nature
Pages77-88
Number of pages12
ISBN (Electronic)9789819605439
ISBN (Print)9789819605422
DOIs
Publication statusPublished - 1 Jan 2025

Keywords

  • ADMET
  • Diabetes mellitus
  • Molecular docking
  • Phytocompounds
  • Syzygium calophyllifolium

ASJC Scopus subject areas

  • General Medicine
  • General Pharmacology, Toxicology and Pharmaceutics
  • General Biochemistry,Genetics and Molecular Biology
  • General Agricultural and Biological Sciences

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