相关实验视频

Updated: Jul 19, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

337

设计,合成,分子对接,分子动态模拟和MMGBSA分析7-O替代的5-基法衍生物的7-O替代的5-基法衍生物

Kajalben B Patel1, Rahul V Patel2, Iqrar Ahmad3,4

  • 1Department of Chemistry, Sardar Vallabhbhai National Institute of Technology, Surat, Gujarat, India.

Journal of biomolecular structure & dynamics
|August 8, 2023
PubMed
概括

新的素衍生物显示出强大的抗菌活性对抗大肠杆菌和金黄色杆菌. 化合物12显示出显著的疗效,需要进一步研究潜在的治疗应用.

关键词:
弗拉衍生品的发酵素衍生品模拟MD的模拟方法和MMGBSA分析以及MMGBSA分析.分子对接的分子对接.综合合成是一种合成.

更多相关视频

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors10:29

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

Published on: May 9, 2025

1.3K
Biosynthesis of a Flavonol from a Flavanone by Establishing a One-pot Bienzymatic Cascade09:50

Biosynthesis of a Flavonol from a Flavanone by Establishing a One-pot Bienzymatic Cascade

Published on: August 14, 2019

9.4K

相关概念视频

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.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
769
Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
8.1K