title: Synthesis, antimalarial activity and molecular docking of hybrid 4-aminoquinoline-1,3,5-triazine derivatives.
abstract: A series of novel hybrid 4-aminoquinoline 1,3,5-triazine derivatives was synthesized in a five-steps reaction and evaluated for their in vitro antimalarial activity against chloroquine-sensitive (3D7) and chloroquine-resistant (RKL-2) strains of Plasmodium falciparum. Entire synthetic derivatives showed higher antimalarial activity on the sensitive strain while two compounds, viz., 9a and 9c displayed good activity against both the strains of P. falciparum. The observed activity was further substantiated by docking study on both wild and qradruple mutant type P. falciparum dihydrofolate reductase-thymidylate synthase (pf-DHFR-TS).
authors.affiliation: Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Science, Deemed University, Allahabad 211007, India. Electronic address: pharmahans@gmail.com.
authors.forename: Hans Raj
authors.initials: HR
authors.lastname: Bhat
authors.affiliation: Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Science, Deemed University, Allahabad 211007, India; Nucleic Acids and Antiviral Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad 211002, India.
authors.forename: Udaya Pratap
authors.initials: UP
authors.lastname: Singh
authors.affiliation: Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture, Technology & Science, Deemed University, Allahabad 211007, India.
authors.forename: Anjali
authors.initials: A
authors.lastname: Thakur
authors.affiliation: Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh 786004, India.
authors.forename: Surajit
authors.initials: S
authors.lastname: Kumar Ghosh
authors.affiliation: Regional Medical Research Centre, ICMR, Dibrugarh 786005, India.
authors.forename: Kabita
authors.initials: K
authors.lastname: Gogoi
authors.affiliation: Regional Medical Research Centre, ICMR, Dibrugarh 786005, India.
authors.forename: Anil
authors.initials: A
authors.lastname: Prakash
authors.affiliation: Nucleic Acids and Antiviral Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad 211002, India.
authors.forename: Ramendra K
authors.initials: RK
authors.lastname: Singh
mesh_terms: D000634:Aminoquinolines / Q000737:chemistry* / Q000494:pharmacology*; D000818:Animals; D000962:Antimalarials / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D005260:Female; D008024:Ligands; D051379:Mice; D062105:Molecular Docking Simulation; D010963:Plasmodium falciparum / Q000187:drug effects*; D013329:Structure-Activity Relationship; D014227:Triazines / Q000737:chemistry*
chemical_list: D000634:Aminoquinolines; D000962:Antimalarials; D008024:Ligands; D014227:Triazines; C001920:4-aminoquinoline
keywords: 1,3,5-triazine; 4-aminoquinoline; Antimalarial; Docking