An Overview of Computer-aided Drug Design Tools and Recent Applications in Designing of Anti-diabetic Agents

Author(s): Paranjeet Kaur, Gopal Khatik*

Journal Name: Current Drug Targets

Volume 22 , Issue 10 , 2021


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Abstract:

Background: In this fast-growing era, high throughput data is now being easily accessed by getting transformed into datasets which store the information. Such information is valuable to optimize the hypothesis and drug design via computer-aided drug design (CADD). Nowadays, we can explore the role of CADD in various disciplines like Nanotechnology, Biochemistry, Medical Sciences, Molecular Biology, etc.

Methods: We searched the valuable literature using a pertinent database with given keywords like computer-aided drug design, anti-diabetic, drug design, etc. We retrieved all valuable articles which are recent and discussing the role of computation in the designing of anti-diabetic agents.

Results: To facilitate the drug discovery process, the computational approach has set landmarks in the whole pipeline for drug discovery from target identification and mechanism of action to the identification of leads and drug candidates. Along with this, there is a determined endeavor to describe the significance of in-silico studies in predicting the absorption, distribution, metabolism, excretion, and toxicity profile. Thus, globally, CADD is accepted with a variety of tools for studying QSAR, virtual screening, protein structure prediction, quantum chemistry, material design, physical and biological property prediction.

Conclusion: Computer-assisted tools are used as the drug discovery tool in the area of different diseases, and here we reviewed the collaborative aspects of information technologies and chemoinformatic tools in the discovery of anti-diabetic agents, keeping in view the growing importance for treating diabetes.

Keywords: Antidiabetics, computer-aided drug design, molecular docking, QSAR, virtual screening, chemoinfor-matic tools.

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Article Details

VOLUME: 22
ISSUE: 10
Year: 2021
Published on: 19 November, 2020
Page: [1158 - 1182]
Pages: 25
DOI: 10.2174/1389450121666201119141525
Price: $65

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