Reverse transcriptase (RT) is a multifunctional enzyme in the life cycle of human immunodeficiency virus and represents a primary target for drug discovery against HIV-1 infection. Two classes of RT inhibitors, the nucleoside and the non-nucleoside RT inhibitors, are prominently used in the highly active antiretroviral therapy in combination with other anti-HIV drugs. This chapter deals with the salient features of HIV-RT that make it an attractive target for rational drug design and chemotherapeutic intervention in the management of acquired immunodeficiency syndrome. Further, the role of RT in the viral life cycle, the ways the drugs act to inhibit the normal functions of RT, and the mechanisms that the virus adapts to evade the available drugs have been discussed. Computational strategies used in rational drug design accompanied by a better understanding of RT, its mechanism of inhibition and drug resistance, discussed in this chapter, shall provide a better platform to develop effective RT inhibitors.
Molecular docking analysis of novel Non-Nucleoside Reverse Transcriptase Inhibitors in development: implication for rational drug design