Abstract: At present, how to overcome drug resistance and alleviate side effects has been always a hot research topic in the field of anti-HIV medicinal chemistry. With the rapid development of structural biology and drug screening technology, new targets for anti-AIDS and their inhibitors have been discovered one after another, increasing the hope of curing AIDS. From the point of view of medicinal chemistry, this review summarizes and discusses current endeavors towards the new discovery and development in target-based anti-AIDS drugs, in order to inspire drug development.