New Horizons in Antimalarial Drug Discovery in the Last Decade by Chemoinformatic Approaches.

New Horizons in Antimalarial Drug Discovery in the Last Decade by Chemoinformatic Approaches. Comb Chem High Throughput Screen. 2014 Dec 29; Authors: Ambre PK, Wavhale RD, Coutinho EC Abstract Antimalarial drug discovery process is progressively carried out by a combination of innovation and knowledge based methods that includes computational and experimental to achieve potent leads. Among the various computational approaches, chemoinformatics has a critical role to play in the discovery of new leads or drug candidates. Chemoinformatics provides researchers tools to derive information on substructures, chemical space, similarity and diversity. It also helps to manage and store chemical data, study important molecular properties and filter libraries with regard to specified criteria in the database. To accomplish these ends it uses various tools amongst which are docking, 3D-QSAR, similarity search, virtual screening, database mining and pharmacophore mapping. This review is intended to provide the reader with a perspective of the utility of chemoinformatic approaches in antimalarial drug design. This review covers various facets such as targets that have been exploited for antimalarial drug discovery by chemoinformatic methods; potential antimalarial targets that have as yet been unexplored; the challenges faced in antimalarial drug discovery, and future directions for discovery of novel antimalarial agents. PMID: 25543682 [P...
Source: Combinatorial Chemistry and High Throughput Screening - Category: Chemistry Authors: Tags: Comb Chem High Throughput Screen Source Type: research