An Approach Of Computer Aided Drug Design (CADD) Tools For In-silico Evaluation Of Various Derivatives Of Antidiabetic Standard Drugs

An in-silico ADME/T study utilizing Swiss ADME software was conducted on novel derivatives of standard antidiabetic drugs, revealing reduced toxicity levels compared to existing medications. Docking scores showed significant interactions with antidiabetic and antitubercular properties, successfully binding to protein PDB IDs 8Q0T and 1H5U. Predictive analysis yielded Pa and Pi values (0-1), indicating promising antidiabetic activity. These findings suggest the derivatives' potential for development into enhanced efficacy antidiabetic compounds, opening new avenues for antidiabetic drug discovery and providing valuable leads for future research in combating diabetes.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-10-19
DOI
https://doi.org/10.5281/zenodo.13955358
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

An Approach Of Computer Aided Drug Design (CADD) Tools For In-silico Evaluation Of Various Derivatives Of Antidiabetic Standard Drugs

Zenodo (CERN European Organization for Nuclear Research)
Computational Drug Discovery Methods
article

An Approach Of Computer Aided Drug Design (CADD) Tools For In-silico Evaluation Of Various Derivatives Of Antidiabetic Standard Drugs

article en

Abstract

An in-silico ADME/T study utilizing Swiss ADME software was conducted on novel derivatives of standard antidiabetic drugs, revealing reduced toxicity levels compared to existing medications. Docking scores showed significant interactions with antidiabetic and antitubercular properties, successfully binding to protein PDB IDs 8Q0T and 1H5U. Predictive analysis yielded Pa and Pi values (0-1), indicating promising antidiabetic activity. These findings suggest the derivatives' potential for development into enhanced efficacy antidiabetic compounds, opening new avenues for antidiabetic drug discovery and providing valuable leads for future research in combating diabetes.

Zenodo (CERN European Organization for Nuclear Research)
Good health and well-being
Openalex Percentile: Top 53%
Computational Drug Discovery Methods
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