Naranjo FD, Izquierdo AL, Calero RR, Hernández AL, Bouza FJ, Barreto GDE, Valiente PA, Carrillo CHA, Pascutti PG

Language: English
References: 33
Page: 3211-3217
PDF size: 1225.44 Kb.

ABSTRACT

The computer-aided drug design uses computational chemistry tools to discover, enhance or study drugs related to biologically active molecules. Here, we developed a molecular docking integrated and distributed platform (MODIP) for the virtual screening of bioactives compounds. MODIP is a webserver application, which downloads and prepares the compounds from the PubChem BioAssay database in a suitable format for docking with Autodock vina. The platform is able to screen in parallel chemotherapeutic receptors and its off-targets related proteins. MODIP can be run locally and is adaptable for running others public docking software and chemical databases.

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