对接(动物)
生物信息学
药物发现
计算生物学
分子动力学
药品
化学
计算机科学
生物
生物化学
计算化学
医学
药理学
基因
护理部
作者
Divya Sahu,Lokendra Singh Rathor,Shradha Devi Dwivedi,Kamal Shah,Nagendra Singh Chauhan,Manju Rawat Singh,Deependra Singh
出处
期刊:Assay and Drug Development Technologies
[Mary Ann Liebert]
日期:2024-01-01
卷期号:22 (1): 40-50
被引量:6
摘要
One of the most often utilized methods for drug discovery is molecular docking. With docking, one may discover new therapeutically relevant molecules by targeting the molecule and predicting the target–ligand interactions as well as different conformation of ligand at various positions. The prediction signifies the effectiveness of the molecule or the developed molecule having different affinity with target. Drug discovery plays an important role in the development of a new drug molecule of different moiety attached to it, which leads us in the management of several diseases. In silico approach led us to identification of numerous diseases caused by virus, fungi, bacteria, protozoa, and other microorganisms that affect human health. By means of computational approach, we can categorize disease symptoms and use the drugs available for such types of warning signs. After the docking process, molecular dynamics computational technique helps in the simulation of the physical movement of atoms and molecules for a fixed period of time, giving a view of the dynamic evaluation of the system. This review is an attempt to illustrate the role of molecular docking in drug development.
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