In Vitro and In Silico Anti-plasmodial Evaluation of Newly Synthesized β-Carboline Derivatives

Vipin Kumar; Cheryl Sachdeva; Kamran Waidha; Sunil Sharma; Devalina Ray; Naveen Kumar Kaushik; Biswajit Saha

doi:10.1002/slct.202101355

In Vitro and In Silico Anti-plasmodial Evaluation of Newly Synthesized β-Carboline Derivatives

Vipin Kumar
, Cheryl Sachdeva
, Kamran Waidha
, Sunil Sharma
, Devalina Ray
, Naveen Kumar Kaushik
, Biswajit Saha

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

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 Pf3D7 and PfINDO with the IC₅₀ 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.

Original language	English
Pages (from-to)	5338-5342
Number of pages	5
Journal	ChemistrySelect
Volume	6
Issue number	21
DOIs	https://doi.org/10.1002/slct.202101355
State	Published - 8 Jun 2021
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

Antimalarial activity
Conjugates
Guanidine
Molecular Docking
Thiourea
β-Carbolines

ASJC Scopus subject areas

General Chemistry

Access to Document

10.1002/slct.202101355

Cite this

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title = "In Vitro and In Silico Anti-plasmodial Evaluation of Newly Synthesized β-Carboline Derivatives",

abstract = "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 Pf3D7 and PfINDO with the IC50 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.",

keywords = "Antimalarial activity, Conjugates, Guanidine, Molecular Docking, Thiourea, β-Carbolines",

author = "Vipin Kumar and Cheryl Sachdeva and Kamran Waidha and Sunil Sharma and Devalina Ray and \{Kumar Kaushik\}, Naveen and Biswajit Saha",

note = "Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",

year = "2021",

month = jun,

day = "8",

doi = "10.1002/slct.202101355",

language = "English",

volume = "6",

pages = "5338--5342",

journal = "ChemistrySelect",

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publisher = "Wiley-Blackwell Publishing Ltd",

number = "21",

}

TY - JOUR

T1 - In Vitro and In Silico Anti-plasmodial Evaluation of Newly Synthesized β-Carboline Derivatives

AU - Kumar, Vipin

AU - Sachdeva, Cheryl

AU - Waidha, Kamran

AU - Sharma, Sunil

AU - Ray, Devalina

AU - Kumar Kaushik, Naveen

AU - Saha, Biswajit

PY - 2021/6/8

Y1 - 2021/6/8

N2 - 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 Pf3D7 and PfINDO with the IC50 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.

AB - 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 Pf3D7 and PfINDO with the IC50 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.

KW - Antimalarial activity

KW - Conjugates

KW - Guanidine

KW - Molecular Docking

KW - Thiourea

KW - β-Carbolines

UR - https://www.scopus.com/pages/publications/85108146326

U2 - 10.1002/slct.202101355

DO - 10.1002/slct.202101355

M3 - Article

AN - SCOPUS:85108146326

SN - 2365-6549

VL - 6

SP - 5338

EP - 5342

JO - ChemistrySelect

JF - ChemistrySelect

IS - 21

ER -

In Vitro and In Silico Anti-plasmodial Evaluation of Newly Synthesized β-Carboline Derivatives

Abstract

UN SDGs

Keywords

ASJC Scopus subject areas

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