Docking studies and development of novel 5-heteroarylamino-2,4-diamino-8-chloropyrimido-[4,5-b]quinolines as potential antimalarials

Bioorganic & Medicinal Chemistry Letters
Advait A Joshi, C L Viswanathan

Abstract

MOE-Dock (Docking software) was used to predict the binding modes of 10 novel and potent 5-substituted amino-2,4-diamino-8-chloropyrimido-[4,5-b]quinolines (compounds I-X) as part of our antimalarial drug development programme. This was done by analyzing the interaction of these compounds with the active sites of 11 enzymes present in Plasmodium falciparum and based on this, effective binding was observed to enzyme P. falciparum glutathione reductase (PfGR). The binding scores for compounds I-X with PfGR were also congruent with their antimalarial activity. Three additional analogs were then designed and synthesized based on the above docking study and the pharmacophoric requirements for this class.

References

Dec 11, 1999·Nucleic Acids Research·H M BermanP E Bourne

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Citations

Feb 9, 2012·Chemistry, an Asian Journal·Tanmoy ChandaMaya Shankar Singh
Oct 23, 2010·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jorge TrillerasJusto Cobo
Feb 2, 2019·Anti-cancer Agents in Medicinal Chemistry·Amr M AbdelmoniemIsmail A Abdelhamid
Dec 7, 2013·Acta Crystallographica. Section C, Crystal Structure Communications·Diana BecerraChristopher Glidewell
Dec 16, 2017·Organic & Biomolecular Chemistry·Seuli ParuaNanda D Paul
Nov 20, 2009·Journal of Combinatorial Chemistry·Marco FantiniMirko Rivara
Sep 10, 2009·Chemical Reviews·Marcos A P MartinsPablo Machado

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