title: Synthesis, Docking, In Vitro and In Vivo Antimalarial Activity of Hybrid 4-aminoquinoline-1,3,5-triazine Derivatives Against Wild and Mutant Malaria Parasites.
abstract: A new series of hybrid 4-aminoquinoline-1,3,5-triazine derivatives was synthesized by a four-step reaction. Target compounds were screened for in vitro antimalarial activity against chloroquine-sensitive (3D-7) and chloroquine-resistant (RKL-2) strains of Plasmodium falciparum. Compounds exhibited, by and large, good antimalarial activity against the resistant strain, while two of them, that is 8g and 8a, displayed higher activity against both the strains of P. falciparum. Additionally, docking study was performed on both wild (1J3I.pdb) and quadruple mutant (N51I, C59R, S108 N, I164L, 3QG2.pdb) type pf-DHFR-TS to highlight the structural features of hybrid molecules.
authors.affiliation: Drug Design and Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture Technology and Science, Deemed University, Allahabad, 211007, India.
authors.forename: Hans Raj
authors.initials: HR
authors.lastname: Bhat
authors.affiliation: Drug Design and Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom Institute of Agriculture Technology and 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: Faculty of Pharmacy, Uttarakhand Technical University, Dehradun, 248007, India.
authors.forename: Prashant
authors.initials: P
authors.lastname: Gahtori
authors.affiliation: Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, 786004, India.
authors.forename: Surajit Kumar
authors.initials: SK
authors.lastname: 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 / Q000737:chemistry* / Q000494:pharmacology*; D008288:Malaria / Q000188:drug therapy; D062105:Molecular Docking Simulation / Q000379:methods; D010963:Plasmodium falciparum / Q000187:drug effects*; D013329:Structure-Activity Relationship; D014227:Triazines / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000634:Aminoquinolines; D000962:Antimalarials; D014227:Triazines; C001920:4-aminoquinoline
keywords: 1,3,5-triazine; aminoquinoline; antimalarial; docking