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Updated: Jul 25, 2025

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在模型中发现抗COVID-19药物:系统性审查

Okello Harrison Onyango1

  • 1Department of Biological Sciences, Molecular Biology, Computational Biology and Bioinformatics Section, School of Natural and Applied Sciences, Masinde Muliro University of Science and Technology, P.O. BOX 190, 50100 Kakamega, Kenya.

Advances in pharmacological and pharmaceutical sciences
|June 26, 2023
PubMed
概括

这一系统性审查强调了 in silico 模型在发现新的抗COVID-19 药物中的关键作用. 计算药物设计方法对于开发针对SARS-CoV-2变体的有效治疗方法至关重要.

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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...
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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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Physiological and compartmental models are valuable tools used in studying biological systems. These models rely on differential equations to maintain mass balance within the system, ensuring an accurate representation of the dynamic processes at play.
Physiological models take a detailed approach by considering specific molecular processes. They can predict drug distribution, metabolism, and elimination changes, providing a comprehensive understanding of how drugs interact with the body.
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