Prediction and Optimization of Drug Metabolism and Pharmacokinetics Properties Including Absorption, Distribution, Metabolism, Excretion, and the Potential for Toxicity Properties

Authors

  • Akshay R. Yadav  Department of Pharmaceutical Chemistry, Rajarambapu College of Pharmacy, Kasegaon, Maharashtra, India
  • Dr. Shrinivas K. Mohite  Department of Pharmaceutical Chemistry, Rajarambapu College of Pharmacy, Kasegaon, Maharashtra, India

Keywords:

Absorption, Distribution, Metabolism, Excretion, Toxicity properties, QSPR models

Abstract

In addition to high biological activity and selectivity for the target of interest, drug metabolism and pharmacokinetics (DMPK) properties including absorption, distribution, metabolism, excretion, and the potential for toxicity (ADMET) in humans are critical to the success of any candidate therapeutic. After lead discovery or design, there is considerable attention given to improving the compound’s in vivo DMPK/ADMET properties without losing its biological activity. It is common to apply some DMPK/ADMET-based restrictions early on in the discovery process to reduce the number of compounds necessary to evaluate, saving time and resources. Therefore, computational techniques extend to predicting this very important aspect of drug design and discovery. Methods used are structure-based to study the interaction of candidate compounds with key proteins involved in DMPK/ADMET and ligand-based to predict of key properties using quantitative structure property relation (QSPR) models.

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International Journal of Scientific Research in Chemistry

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Published

2020-08-30

Issue

Volume 5, Issue 4, July-August-2020

Section

Research Articles

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How to Cite

[1]
Akshay R. Yadav, Dr. Shrinivas K. Mohite, " Prediction and Optimization of Drug Metabolism and Pharmacokinetics Properties Including Absorption, Distribution, Metabolism, Excretion, and the Potential for Toxicity Properties, International Journal of Scientific Research in Chemistry(IJSRCH), ISSN : 2456-8457, Volume 5, Issue 4, pp.47-58, July-August-2020.