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Insilico interaction of selected five indole alkaloids against oral carcinoma drug targets

  • Nivedhaa Chezhian
  • , Lakshmi Thangavelu
  • , S. Rajeshkumar
  • , Deepa Gurunathan
  • , R. V. Geetha
  • , Anitha Roy
  • Saveetha Institute of Medical and Technical Sciences (Deemed to be University)

Research output: Contribution to journalArticlepeer-review

Abstract

Aim: The aim is to study the interaction of Indole alkaloids against 2 oral carcinoma drug target by insilico docking using iGemdock tool. Background: In this generation, technology has become so advanced that we are able to now achieve what was believed 20 years ago to be impossible. One such advancement is the in silico interactions. It is a virtual screening which enables us to bind two compounds and check the affinity of the binding. This helps us to first screen the activity of the two compounds before money, time and energy is spent in manually performing the activity and then arriving at a failure. We will be able to concentrate on the compounds which show us positive results in the in silico interactions, thus helping us in conserving time, expenditure and energy. Materials & Method: The Oral carcinoma drug targets were identified by literature search and its 3D structure was downloaded from RCSB PDB (Protein Data Bank), which is a crystallographic database for the three-dimensional structural data of large biological molecules. Results: From the above analysis it shows that ajmalicine shows good interaction with both the receptors also shows best fitness energy.

Original languageEnglish
Pages (from-to)3518-3522
Number of pages5
JournalIndian Journal of Public Health Research and Development
Volume10
Issue number11
DOIs
StatePublished - Nov 2019
Externally publishedYes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

  1. SDG 3 - Good Health and Well-being
    SDG 3 Good Health and Well-being

Keywords

  • Drug target
  • Indole alkaloids
  • Insilico docking
  • Medication
  • Oral carcinoma

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