Computational screening of phytochemicals for anti-diabetic drug discovery

Praveen Kumar Dikkala, Jahnavi Kakarlapudi, Preethi Rokalla, Sai Krishna Vedantam, Amarjit Kaur, Kamaljit Kaur, Minaxi Sharma, Kandi Sridhar

Research output: Chapter in Book/Conference proceedingBook Chapterpeer-review

4 Citations (Scopus)

Abstract

Diabetes is one of the most common chronic and progressive diseases around the world and the number of people with diabetes is projected to rise in the next few years. Although many synthetic drugs are effective in controlling diabetes, their long-term usage has undesirable side effects. Hence, there is a growing scientific interest to replace synthetic drugs with natural drugs from medicinal plants. However, understanding the role of molecules and their interaction are necessary for the effective anti-diabetic drug discovery. Over the years, computational biology methods, such as molecular docking, simulations of biomolecules, computer-aided drug design (CADD), and multi-scale biological modeling have been developed in the drug discovery process. Therefore, the present chapter aimed to understand the characteristics of diabetes, the role of phytochemicals from natural sources in controlling diabetes, and the anti-diabetic mechanism of phytochemicals. The chapter also covers the computational screening techniques using phytochemicals in anti-diabetic drug discovery. Many phytochemicals from natural sources showed potential anti-diabetic properties. The use of CADD will speed up the drug discovery process, mitigate risk, and help to identify well-established targets with more innovative drugs in the future.

Original languageEnglish
Title of host publicationPhytochemistry, Computational Tools, and Databases in Drug Discovery
PublisherElsevier
Pages285-311
Number of pages27
ISBN (Electronic)9780323905930
ISBN (Print)9780323907163
DOIs
Publication statusPublished - 1 Jan 2022
Externally publishedYes

Keywords

  • Anti-diabetic properties
  • Computer-aided drug design
  • Diabetes
  • Molecular docking
  • Natural sources
  • Phytochemicals

ASJC Scopus subject areas

  • General Medicine
  • General Pharmacology, Toxicology and Pharmaceutics

Fingerprint

Dive into the research topics of 'Computational screening of phytochemicals for anti-diabetic drug discovery'. Together they form a unique fingerprint.

Cite this