Computer aided drug discovery review for infectious diseases with case study of anti-Chagas project

Neglected tropical diseases (NTDs) are parasitic and bacterial infections that widespread, especially in the tropics, cause health problems for about one billion people over 149 countries worldwide. However, terms of therapeutic agents, example, nifurtimox benznidazole were developed 1960s to treat Chagas disease, but new drugs desirable because their side effects. Drug discovery takes 12 14 years costs $2.6 billon dollars, hence, computer aided drug (CADD) technology is expected reduce time cost. This paper describes our methods results based on CADD, mainly NTDs. An overview databases, molecular simulation pharmacophore modeling, contest-based discovery, machine learning presented herein.