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In Vitro and In Silico Anti‐plasmodial Evaluation of Newly Synthesized β‐Carboline Derivatives
Author(s) -
Kumar Vipin,
Sachdeva Cheryl,
Waidha Kamran,
Sharma Sunil,
Ray Devalina,
Kumar Kaushik Naveen,
Saha Biswajit
Publication year - 2021
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.202101355
Subject(s) - in silico , guanidine , plasmodium falciparum , in vitro , thiourea , chemistry , docking (animal) , conjugated system , combinatorial chemistry , biochemistry , stereochemistry , biology , malaria , gene , organic chemistry , medicine , immunology , nursing , polymer
Series of novel thiourea and guanidine conjugated β ‐carbolines along with other analogues of this class were designed and synthesized for in vitro antimalarial activity against Plasmodium falciparum to overcome the threat of resistance to anti‐malarial drug. Among them, two guanidine conjugated β ‐carbolines 7 a and 7 c showed promising activities against both sensitive and resistant strains Pf 3D7 and Pf INDO with the IC 50 values ranging from 0.6–1.0 μM. The relative activities were further supported by in silico docking and binding studies of the synthesized scaffolds against specific targets, revealing that DHFR and FP3 may act as a potential target for 7 a and 7 c respectively.