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Virtual Screening of Natural Products Database

Author(s):

José Alixandre de Sousa Luis, Renata Priscila Costa Barros, Natália Ferreira de Sousa, Eugene Muratov, Luciana Scotti* and Marcus Tullius Scotti   Pages 1 - 74 ( 74 )

Abstract:


Constant research with natural products has generated, over time, a large number of compounds with potential to be evaluated in several biological tests and subsequently have been cataloged in databases that allow other researchers perform virtual screenings on 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 for bioactive compounds. It also describes the main features of Virtual Screening strategies for identification of molecules with potential to be used as new drugs. In adittion, a search was made in the Web of Science database, using as search term "Virtual screening of natural products databases" from 2003 to 2018. The search criterion resulted in 230 articles, which had their abstracts evaluated as to the pertinence to the criteria required for this work, which are: a) be a research article; b) performing a virtual screening from databases of natural products or containing natural products; c) works that identified drug candidate molecules. Based on these criteria, the bibliographic review work on the topic was excluded. After this analysis, 104 works were selected for this review. Were selected relevant papers describing the obtaining of potential drug candidates that were distributed in 15 classes, of which the anticancer, antibacterial and anti-inflammatory hits were the most abundant. There are also described works showing efforts to search for new molecules against various other diseases in distinct biological systems. 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.

Keywords:

Natural Products, Natural Products Databases, Virtual Screening, Ligand-Based, Structure-Based, Drug candidates.

Affiliation:

Education and Health Center, Federal University of Campina Grande, Cuité, Paraíba, Postgraduate Program in Natural Products and Synthetic Bioactive, Federal University of Paraíba, João Pessoa, Paraíba, Postgraduate Program in Natural Products and Synthetic Bioactive, Federal University of Paraíba, João Pessoa, Paraíba, University of North Carolina, Postgraduate Program in Natural Products and Synthetic Bioactive, Federal University of Paraíba, João Pessoa, Paraíba, Postgraduate Program in Natural Products and Synthetic Bioactive, Federal University of Paraíba, João Pessoa, Paraíba



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