Dolabellane diterpenoids as non-nucleoside reverse transcriptase inhibitors and anti- HIV agents: in silico and biological approach

Human Immunodeficiency Virus (HIV) impacts the immune system and is rapidly evolving with a high number of newly infected cases leading to mortality. However, there is an unmet medical need to identify novel anti-HIV. To identify novel anti-HIV agents, marine products can be considered as a vital source. Previously, we reported cytotoxic activity of 13 compounds belonging to the dolabellane diterpenes scaffold. Here, we tested if our panel of dolabellane diterpene scaffolds also inhibits HIV using in vitro and in vivo assays. We found that dichodictyol E (5), dichodictyol H (8) and 12 inhibit HIV RT enzyme in vitro and infection in vivo. Molecular docking analysis reveals that dichodictyol E (5), dichodictyol H (8) and 12 bind to HIV 1 reverse transcriptase enzyme. We conclude that Dolabellane diterpenoids act as reverse transcriptase inhibitors and anti-HIV agents and are amenable to further structural modifications to make potent anti-HIV agents.