Abstract
Over the past decade, there have been remarkable advances in the area of computer-aided drug design (CADD), which has been applied at almost all stages in the drug discovery pipeline. The generation of initial lead compounds and the subsequent optimization aimed at improving potency and pharmacological properties are the core activities among all. The development in these aspects over the past years will be the focus of this review.
Keywords: Binding affinity prediction, computer-aided drug design, de novo design, database searching, lead optimization, pharmacological properties, low efficiency, drug, therapeutic targets, combinatorial chemistry, drug targets, high throughput screening, macromolecules, X-ray diffraction, amino acid, epidermal growth-factor receptor
Combinatorial Chemistry & High Throughput Screening
Title: Computer-Aided Drug Design: Lead Discovery and Optimization
Volume: 15 Issue: 4
Author(s): Mingli Xiang, Yu Cao, Wenjie Fan, Lijuan Chen and Yirong Mo
Affiliation:
Keywords: Binding affinity prediction, computer-aided drug design, de novo design, database searching, lead optimization, pharmacological properties, low efficiency, drug, therapeutic targets, combinatorial chemistry, drug targets, high throughput screening, macromolecules, X-ray diffraction, amino acid, epidermal growth-factor receptor
Abstract: Over the past decade, there have been remarkable advances in the area of computer-aided drug design (CADD), which has been applied at almost all stages in the drug discovery pipeline. The generation of initial lead compounds and the subsequent optimization aimed at improving potency and pharmacological properties are the core activities among all. The development in these aspects over the past years will be the focus of this review.
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Cite this article as:
Xiang Mingli, Cao Yu, Fan Wenjie, Chen Lijuan and Mo Yirong, Computer-Aided Drug Design: Lead Discovery and Optimization, Combinatorial Chemistry & High Throughput Screening 2012; 15 (4) . https://dx.doi.org/10.2174/138620712799361825
DOI https://dx.doi.org/10.2174/138620712799361825 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
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