Synthesis, molecular docking, and in vitro investigation of 1,1'-diaryl-3,3'-(P-phenylenedicarbonyl) dithioureas as urease inhibitors

Hummera Rafique; Fizza Tahira; Syeda Zar Afshan; Muhammad Naseem; Naghmana Kausar; Aamer Saeed; Muhammad Sharif

doi:10.2174/1570178616666191004111058

Synthesis, molecular docking, and in vitro investigation of 1,1'-diaryl-3,3'-(P-phenylenedicarbonyl) dithioureas as urease inhibitors

Hummera Rafique^*, Fizza Tahira, Syeda Zar Afshan, Muhammad Naseem, Naghmana Kausar, Aamer Saeed, Muhammad Sharif

^*Corresponding author for this work

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

6 Scopus citations

Abstract

Synthesis of some 1,1'-diaryl-3,3'-(p-phenylenedicarbonyl)dithioureas was accomplished in two steps. Dithioureas were prepared under inert conditions with significantly high yields. Inhibitory activity of dithiourea compounds was investigated against urease enzyme. All the synthesized compounds were evaluated for their urease inhibitory activities, and molecular docking studies were carried out to ascertain the inhibitor binding mode with the enzyme. All the compounds displayed moderate to significant urease inhibitory activities.

Original language	English
Pages (from-to)	254-259
Number of pages	6
Journal	Letters in Organic Chemistry
Volume	17
Issue number	4
DOIs	https://doi.org/10.2174/1570178616666191004111058
State	Published - 2020
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2020 Bentham Science Publishers.

Keywords

Dithioureas
Enzymes
In vitro
Inhibitor binding mode
Investigation
Molecular docking
Urease inhibition activities

ASJC Scopus subject areas

Biochemistry
Organic Chemistry

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10.2174/1570178616666191004111058

Cite this

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title = "Synthesis, molecular docking, and in vitro investigation of 1,1'-diaryl-3,3'-(P-phenylenedicarbonyl) dithioureas as urease inhibitors",

abstract = "Synthesis of some 1,1'-diaryl-3,3'-(p-phenylenedicarbonyl)dithioureas was accomplished in two steps. Dithioureas were prepared under inert conditions with significantly high yields. Inhibitory activity of dithiourea compounds was investigated against urease enzyme. All the synthesized compounds were evaluated for their urease inhibitory activities, and molecular docking studies were carried out to ascertain the inhibitor binding mode with the enzyme. All the compounds displayed moderate to significant urease inhibitory activities.",

keywords = "Dithioureas, Enzymes, In vitro, Inhibitor binding mode, Investigation, Molecular docking, Urease inhibition activities",

author = "Hummera Rafique and Fizza Tahira and Afshan, \{Syeda Zar\} and Muhammad Naseem and Naghmana Kausar and Aamer Saeed and Muhammad Sharif",

note = "Publisher Copyright: {\textcopyright} 2020 Bentham Science Publishers.",

year = "2020",

doi = "10.2174/1570178616666191004111058",

language = "English",

volume = "17",

pages = "254--259",

journal = "Letters in Organic Chemistry",

issn = "1570-1786",

publisher = "Bentham Science Publishers",

number = "4",

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TY - JOUR

T1 - Synthesis, molecular docking, and in vitro investigation of 1,1'-diaryl-3,3'-(P-phenylenedicarbonyl) dithioureas as urease inhibitors

AU - Rafique, Hummera

AU - Tahira, Fizza

AU - Afshan, Syeda Zar

AU - Naseem, Muhammad

AU - Kausar, Naghmana

AU - Saeed, Aamer

AU - Sharif, Muhammad

PY - 2020

Y1 - 2020

N2 - Synthesis of some 1,1'-diaryl-3,3'-(p-phenylenedicarbonyl)dithioureas was accomplished in two steps. Dithioureas were prepared under inert conditions with significantly high yields. Inhibitory activity of dithiourea compounds was investigated against urease enzyme. All the synthesized compounds were evaluated for their urease inhibitory activities, and molecular docking studies were carried out to ascertain the inhibitor binding mode with the enzyme. All the compounds displayed moderate to significant urease inhibitory activities.

AB - Synthesis of some 1,1'-diaryl-3,3'-(p-phenylenedicarbonyl)dithioureas was accomplished in two steps. Dithioureas were prepared under inert conditions with significantly high yields. Inhibitory activity of dithiourea compounds was investigated against urease enzyme. All the synthesized compounds were evaluated for their urease inhibitory activities, and molecular docking studies were carried out to ascertain the inhibitor binding mode with the enzyme. All the compounds displayed moderate to significant urease inhibitory activities.

KW - Dithioureas

KW - Enzymes

KW - In vitro

KW - Inhibitor binding mode

KW - Investigation

KW - Molecular docking

KW - Urease inhibition activities

UR - https://www.scopus.com/pages/publications/85083853434

U2 - 10.2174/1570178616666191004111058

DO - 10.2174/1570178616666191004111058

M3 - Article

AN - SCOPUS:85083853434

SN - 1570-1786

VL - 17

SP - 254

EP - 259

JO - Letters in Organic Chemistry

JF - Letters in Organic Chemistry

IS - 4

ER -

Synthesis, molecular docking, and in vitro investigation of 1,1'-diaryl-3,3'-(P-phenylenedicarbonyl) dithioureas as urease inhibitors

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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