In order to design novel anti-HIV agents, pharmacophore modelling, virtual screening, 3D-
QSAR and molecular docking studies were performed. Pharmacophore model was …

Highlights•Latest advances of HIV-1 integrase inhibitors focusing on molecular
modeling.•Features and functionalities of these computational approaches.•Practices …

AIDS (Acquired immunodeficiency syndrome) is one of the chronic and potentially life-
threatening epidemics across the world. Hitherto, the non-existence of definitive drugs that …

Background AIDS is a highly prevalent and life‐threatening global epidemic that severely
compromises the host's immune system, increasing vulnerability to opportunistic diseases …

A new synthetic protocol for nucleophilic substitution of hydrogen in quinoxalones and
pteridinones by the action of 5, 7-dihydroxycoumarins and related m-dihydroxybenzene …

In search for new and promising coumarin compounds as HIV-1 integrase inhibitors,
chemoinformatic methods like quantitative structure-activity relationships (QSAR) modeling …

Acquired immunodeficiency syndrome (AIDS) is a life-threatening disease which is a
collection of symptoms and infections caused by a retrovirus, human immunodeficiency virus …

HIV-1 integrase (IN) plays an important role in the life cycle of HIV and is responsible for
integration of the virus into the human genome. We present computational approaches used …

The transition‐metal‐free synthesis of organic compounds especially heterocycles is in
resonance with one of the twelve principles proposed by Prof. Paul Anastas in his renowned …

In the present research, efforts were made to develop the novel, selective, and nontoxic
CDK2 inhibitors. Previously reported potent CDK2 inhibitors were utilized for the …