相关实验视频

Updated: Jun 16, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

480

基于昆的希夫基作为可能的抗糖尿病药物:基于联体的药模拟,3D QSAR,对接和分子动力学模拟研究

Shriram D Ranade1, Shankar G Alegaon1, Nayeem A Khatib2

  • 1Department of Pharmaceutical Chemistry, KLE College of Pharmacy, Belagavi, KLE Academy of Higher education and Research Belagavi - 590010 Karnataka India sgalegaon@gmail.com sgalegaon@klepharm.edu.

RSC medicinal chemistry
|August 16, 2024
PubMed
概括

这项研究确定了基于林的化基希夫基作为潜在的α-葡萄糖酶抑制剂来控制2型糖尿病. 化合物6b和6c表现出显著的酶抑制,没有显示毒性.

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Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
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Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
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