Nexus Development PA, Redwood City, CA 94065, USA.
Molecules. 2021 Feb 7;26(4):875. doi: 10.3390/molecules26040875.
The fundamental aim of drug design in research and development is to invent molecules with selective affinity towards desired disease-associated targets. At the atomic loci of binding surfaces, systematic structural variations can define affinities between drug candidates and biomolecules, and thereby guide the optimization of safety, efficacy and pharmacologic properties. Hydrophobic interaction between biomolecules and drugs is integral to binding affinity and specificity. Examples of antiviral drug discovery are discussed.
药物设计在研究与开发中的根本目标是发明对所需疾病相关靶标具有选择性亲和力的分子。在结合表面的原子位置上,系统的结构变化可以定义候选药物与生物分子之间的亲和力,从而指导安全性、疗效和药理学性质的优化。生物分子和药物之间的疏水相互作用是结合亲和力和特异性的基础。本文讨论了抗病毒药物的发现。