title: Synthesis and molecular docking studies of 1-phenyl-4-glycosyl-dihydropyridines as potent antileishmanial agents.
abstract: A series of 1-phenyl-4-glycosyl-dihydropyridines (4-17 and 19-21) were prepared by the one pot multicomponent reaction of glcosyl aldehyde, beta-keto compounds and aniline or substituted aniline in the presence of TBAHS as catalyst. The compounds were screened in vitro and in vivo for their antileishmanial activities. Most of the compounds exhibited moderate to good activity against amastigotes and promastigotes of Leishmania donovani. The compounds 4, 11, 12, 13, and 17 exhibited potent in vivo activity with selectivity index (SI) values 7.43-18.93. Molecular docking studies with these compounds revealed L. donovani PTR1 as the possible target to show antileishmanial activities.
authors.affiliation: Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226001, CSIR, India.
authors.forename: Vivek Parashar
authors.initials: VP
authors.lastname: Pandey
authors.forename: Surendra Singh
authors.initials: SS
authors.lastname: Bisht
authors.forename: Mridul
authors.initials: M
authors.lastname: Mishra
authors.forename: Ashutosh
authors.initials: A
authors.lastname: Kumar
authors.forename: Mohammad Imran
authors.initials: MI
authors.lastname: Siddiqi
authors.forename: Aditya
authors.initials: A
authors.lastname: Verma
authors.forename: Monika
authors.initials: M
authors.lastname: Mittal
authors.forename: Shraddha A
authors.initials: SA
authors.lastname: Sane
authors.forename: Suman
authors.initials: S
authors.lastname: Gupta
authors.forename: Rama P
authors.initials: RP
authors.lastname: Tripathi
mesh_terms: D000818:Animals; D000981:Antiprotozoal Agents / Q000138:chemical synthesis* / Q000378:metabolism / Q000494:pharmacology* / Q000633:toxicity; D002460:Cell Line; D007893:Leishmania donovani / Q000187:drug effects* / Q000201:enzymology / Q000254:growth & development; D008018:Life Cycle Stages; D051379:Mice; D008958:Models, Molecular; D008968:Molecular Conformation; D010088:Oxidoreductases / Q000737:chemistry / Q000378:metabolism; D011725:Pyridines / Q000138:chemical synthesis* / Q000378:metabolism / Q000494:pharmacology* / Q000633:toxicity
chemical_list: D000981:Antiprotozoal Agents; D011725:Pyridines; D010088:Oxidoreductases; C085592:pteridine reductase