Quinoline moiety is an important scaffold in the field of drug discovery and drug development, with a wide range of pharmacological activities. Quinoline derivatives are potent inhibitors for reverse transcriptase, which is responsible for the conversion of single-stranded viral RNA into double-stranded viral the present study, we have designed and synthesized 2 series, namely pyrazoline and pyrimidine containing quinoline derivatives as non nucleoside reverse transcriptase inhibitors (NNRTIs). Eleven compounds were synthesized and characterized by 1 H and 13C NMR and mass spectrophotometry. | Turkish Journal of Chemistry Turk J Chem 2020 44 1623-1641 http chem TÜBİTAK Research Article doi kim-2004-14 Synthesis and molecular docking studies of quinoline derivatives as HIV non-nucleoside reverse transcriptase inhibitors 1 3 1 Nivedita BHARDWAJ Diksha CHOUDHARY 1 2 1 Akashdeep PATHANIA Somesh BARANWAL Pradeep KUMAR 1 Department of Pharmaceutical Sciences and Natural Products Central University of Punjab Bathinda India 2 Department of Microbiology Central University of Punjab Bathinda India 3 Department of Pharmaceutical Engineering and Technology Indian Institute of Technology Banaras Hindu University Varanasi India Received Accepted Published Online Final Version Abstract Quinoline moiety is an important scaffold in the field of drug discovery and drug development with a wide range of pharmacological activities. Quinoline derivatives are potent inhibitors for reverse transcriptase which is responsible for the conversion of single-stranded viral RNA into double-stranded viral the present study we have designed and synthesized 2 series namely pyrazoline and pyrimidine containing quinoline derivatives as non nucleoside reverse transcriptase inhibitors NNRTIs . Eleven compounds were synthesized and characterized by 1H and 13C NMR and mass spectrophotometry. The synthesized compounds were also docked on an HIV reverse transcriptase binding site PDB 4I2P most of these compounds showed good binding interactions with the active domain of the receptor. Most of the compounds displayed a docking score higher than those of standard drugs. Among the synthesized quinoline derivatives compound 4 exhibited the highest docking score . Key words Quinoline HIV NNRTIs pyrimidine pyrazoline 1. Introduction It has been over three decades since HIV the causative agent for acquired immunodeficiency syndrome AIDS was identified. From the beginning of the global pandemic of HIV in the early 1980s an .
