Virtual Screening of Natural Products Database
| Autor: | Luciana Scotti, Natália Ferreira de Sousa, Renata Priscila Costa Barros, Marcus Tullius Scotti, José Alixandre de Sousa Luis, Eugene N. Muratov |
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| Rok vydání: | 2021 |
| Předmět: |
Pharmacology
Biological Products Virtual screening Database 010405 organic chemistry Drug candidate Computer science Drug Evaluation Preclinical General Medicine computer.software_genre 01 natural sciences Natural (archaeology) 0104 chemical sciences 010404 medicinal & biomolecular chemistry Identification (information) Pharmaceutical Preparations Drug Discovery Quality of Life Humans Structure based Research article computer Databases Chemical |
| Zdroj: | Mini-Reviews in Medicinal Chemistry. 21:2657-2730 |
| ISSN: | 1389-5575 |
| DOI: | 10.2174/1389557520666200730161549 |
| Popis: | Constant research on natural products has generated, over time, a large number of compounds with the potential to be evaluated in several biological tests and subsequently have been cataloged in databases that allow other researchers to perform virtual screenings of activity in various biological systems. This considerably reduces the time for the development of new drugs. This review describes the main databases of natural products available for searching bioactive compounds. It also describes the main features of virtual screening strategies for the identification of molecules with the potential to be used as new drugs. In addition, a search was made in the Web of Science database, using the search term "Virtual screening of natural products databases" from 2003 to 2018. The search criterion resulted in 230 articles, which had their abstracts evaluated with pertinence to the criteria required for this work, which are: a) be a research article; b) performing a virtual screening on databases of natural products or containing natural products; and c) works that identified drug candidate molecules. Based on these criteria, the bibliographic review on the topic was excluded. After this analysis, 104 works were selected for this review. We selected relevant papers describing the potential drug candidates that were distributed in 15 classes, of which the anticancer, antibacterial and anti-inflammatory hits were the most abundant. The works showing efforts to search for new molecules against various other diseases in distinct biological systems were also described. In this way, this work shows an overview of several methodologies and we hope they can help and inspire the development of new research to improve people's quality of life. |
| Databáze: | OpenAIRE |
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