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Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile

The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of pyridine carboxamide and carbothioamide derivative...

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Main Authors: Ayesha Naseer, Faisal Abdulrhman Osra, Asia Naz Awan, Aqeel Imran, Abdul Hameed, Syed Adnan Ali Shah, Jamshed Iqbal, Zainul Amiruddin Zakaria
Format: Article
Language:English
Published: Multidisciplinary Digital Publishing Institute 2022
Subjects:
R5-920 Medicine (General)
RC254-282 Neoplasms. Tumors. Oncology Including cancer and carcinogens
Online Access:https://eprints.ums.edu.my/id/eprint/42524/1/FULL%20TEXT.pdf
https://eprints.ums.edu.my/id/eprint/42524/
https://doi.org/10.3390/ph15101288
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spelling my.ums.eprints.425242025-01-07T03:39:05Z https://eprints.ums.edu.my/id/eprint/42524/ Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile Ayesha Naseer Faisal Abdulrhman Osra Asia Naz Awan Aqeel Imran Abdul Hameed Syed Adnan Ali Shah Jamshed Iqbal Zainul Amiruddin Zakaria R5-920 Medicine (General) RC254-282 Neoplasms. Tumors. Oncology Including cancer and carcinogens The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of pyridine carboxamide and carbothioamide derivatives which also have some novel structures were synthesized via condensation reaction and investigated against urease for their inhibitory action. Among the series, 5-chloropyridine-2 yl-methylene hydrazine carbothioamide (Rx-6) and pyridine 2-yl-methylene hydrazine carboxamide (Rx-7) IC50 = 1.07 ± 0.043 µM, 2.18 ± 0.058 µM both possessed significant activity. Furthermore, molecular docking and kinetic studies were performed for the most potent inhibitors to demonstrate the binding mode of the active pyridine carbothioamide with the enzyme urease and its mode of interaction. The ADME profile also showed that all the synthesized molecules present oral bioavailability and high GI absorption. Multidisciplinary Digital Publishing Institute 2022 Article NonPeerReviewed text en https://eprints.ums.edu.my/id/eprint/42524/1/FULL%20TEXT.pdf Ayesha Naseer and Faisal Abdulrhman Osra and Asia Naz Awan and Aqeel Imran and Abdul Hameed and Syed Adnan Ali Shah and Jamshed Iqbal and Zainul Amiruddin Zakaria (2022) Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile. Pharmaceuticals, 15. pp. 1-12. https://doi.org/10.3390/ph15101288
institution Universiti Malaysia Sabah
building UMS Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Sabah
content_source UMS Institutional Repository
url_provider http://eprints.ums.edu.my/
language English
topic R5-920 Medicine (General)
RC254-282 Neoplasms. Tumors. Oncology Including cancer and carcinogens
spellingShingle R5-920 Medicine (General)
RC254-282 Neoplasms. Tumors. Oncology Including cancer and carcinogens
Ayesha Naseer
Faisal Abdulrhman Osra
Asia Naz Awan
Aqeel Imran
Abdul Hameed
Syed Adnan Ali Shah
Jamshed Iqbal
Zainul Amiruddin Zakaria
Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
description The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of pyridine carboxamide and carbothioamide derivatives which also have some novel structures were synthesized via condensation reaction and investigated against urease for their inhibitory action. Among the series, 5-chloropyridine-2 yl-methylene hydrazine carbothioamide (Rx-6) and pyridine 2-yl-methylene hydrazine carboxamide (Rx-7) IC50 = 1.07 ± 0.043 µM, 2.18 ± 0.058 µM both possessed significant activity. Furthermore, molecular docking and kinetic studies were performed for the most potent inhibitors to demonstrate the binding mode of the active pyridine carbothioamide with the enzyme urease and its mode of interaction. The ADME profile also showed that all the synthesized molecules present oral bioavailability and high GI absorption.
format Article
author Ayesha Naseer
Faisal Abdulrhman Osra
Asia Naz Awan
Aqeel Imran
Abdul Hameed
Syed Adnan Ali Shah
Jamshed Iqbal
Zainul Amiruddin Zakaria
author_facet Ayesha Naseer
Faisal Abdulrhman Osra
Asia Naz Awan
Aqeel Imran
Abdul Hameed
Syed Adnan Ali Shah
Jamshed Iqbal
Zainul Amiruddin Zakaria
author_sort Ayesha Naseer
title Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
title_short Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
title_full Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
title_fullStr Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
title_full_unstemmed Exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and ADME profile
title_sort exploring novel pyridine carboxamide derivatives as urease inhibitors: synthesis, molecular docking, kinetic studies and adme profile
publisher Multidisciplinary Digital Publishing Institute
publishDate 2022
url https://eprints.ums.edu.my/id/eprint/42524/1/FULL%20TEXT.pdf
https://eprints.ums.edu.my/id/eprint/42524/
https://doi.org/10.3390/ph15101288
_version_ 1821003228622356480
score 13.244413

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