In Silico Studies of Potentially Active 2-Amino-Thiophenic Derivatives Against HIV-1
HIV is a virus that affects more than 37 million people worldwide, where only 23.3 million were receiving retroviral treatment by 2018, according to the World Health Organization (WHO). Three important enzymatic targets in the life cycle of HIV are: reverse transcriptase, protease and integrase; disease progression causes a decrease in CD4 + T lymphocytes, makes the infected organism vulnerable to opportunistic diseases. Therefore, much research aims to inhibit these enzymes to try to fight AIDS. This research aims to verify the use of silico techniques for an inhibitory activity of a set of 2-aminothiophenic drugs against these three enzymes, based on rational drug planning, virtual screening, and molecular modeling. To this end, many computational tools were used to generate data that improve the expectation of potential activity of these compounds. After all analyses, it was concluded that 12 of the 180 compounds tested may have potential activity against HIV-1 with low toxicological effects.