仿形(计算机编程)
药物发现
计算机科学
天然产物
瓶颈
生化工程
风险分析(工程)
数据科学
计算生物学
工程类
化学
生物信息学
医学
生物
操作系统
嵌入式系统
立体化学
作者
Pobitra Borah,Sangeeta Hazarika,Satyendra Deka,Katharigatta N. Venugopala,Anroop B. Nair,Mahesh Attimarad,Nagaraja Sreeharsha,Raghu Prasad Mailavaram
标识
DOI:10.2174/1389200221666200714144911
摘要
The successful conversion of natural products (NPs) into lead compounds and novel pharmacophores has emboldened the researchers to harness the drug discovery process with a lot more enthusiasm. However, forfeit of bioactive NPs resulting from an overabundance of metabolites and their wide dynamic range have created the bottleneck in NP researches. Similarly, the existence of multidimensional challenges, including the evaluation of pharmacokinetics, pharmacodynamics, and safety parameters, has been a concerning issue. Advancement of technology has brought the evolution of traditional natural product researches into the computer-based assessment exhibiting pretentious remarks about their efficiency in drug discovery. The early attention to the quality of the NPs may reduce the attrition rate of drug candidates by parallel assessment of ADMET profiling. This article reviews the status, challenges, opportunities, and integration of advanced technologies in natural product research. Indeed, emphasis will be laid on the current and futuristic direction towards the application of newer technologies in early-stage ADMET profiling of bioactive moieties from the natural sources. It can be expected that combinatorial approaches in ADMET profiling will fortify the natural product-based drug discovery in the near future.
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