Design of novel dual-target hits against malaria and tuberculosis using computational docking

Abstract

Drugs which are purposefully designed to hit more than one target (multi-target drugs) promise a better safety profile and low resistance probability. Multi-target therapy also offers a cost-effective model for pharmaceutical R&D, making it quite an appealing strategy in the domain of neglected tropical diseases (NTDs) and other infections/coinfections of the global impact such as malaria, tuberculosis, and AIDS. We reviewed herein different approaches (knowledge base and screening base) for designing multi-target inhibitors with the special emphasis on the research work of the authors. Additionally, a step-by-step guide (protocol) and different computational resources are also discussed in detail to design multi-target hits for malaria and tuberculosis.