Molecular docking study of bioactive phytochemicals against infectious diseases

Sanjeev Kumar Sahu, Thatikayala Mahender, Iqubal Singh, Pankaj Wadhwa, Paranjeet Kaur, Kuldeep Bansal

Research output: Chapter in Book/Conference proceedingChapterScientificpeer-review


A number of secondary metabolites produced by plants are known as bioactive phytochemical compounds/molecules. These phytochemicals have been recognized for their nutrient and nonnutrient applications. The various medicinal plants that possess bioactive phytochemicals have been reported against several health problems in association with multiple therapeutic as well as toxicological effects, which is corroborating some ethnopharmacological reports. There are number of phytoconstituents that exhibits anti-infective action against different microbial infections. Molecular docking study is an effective tool for in silico drug design in which we focus to highlight any interactions between the compounds and protein receptors. In docking study, always ligands consider being flexible with rigid position of the protein structure. This chapter is focused on the bioactive phytochemicals against infectious diseases with their molecular docking study.

Original languageEnglish
Title of host publicationRecent Frontiers of Phytochemicals
Subtitle of host publicationApplications in Food, Pharmacy, Cosmetics, and Biotechnology
Number of pages24
ISBN (Electronic)9780443191435
ISBN (Print)9780443158087
Publication statusPublished - 2023
MoE publication typeA3 Part of a book or another research book


  • anti-coronal agents
  • anti-leishmanial agents
  • antitubercular agents
  • Bioactive phytochemicals
  • molecular docking


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