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Lookup NU author(s): Professor William Clegg
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© 2022 Elsevier B.V. The authors regret: 1. Can you kindly please add: Methodology, Resources, Writing-Original Draft, writing-Review & Editing to the contributions of Abanoub Mosaad Abdallah (in CRediT authorship contribution statement).2. Can you kindly please add: Writing-Original Draft, Data curation to the contributions of Zahraa S. Al-Garawi (in CRediT authorship contribution statement).3. Can you kindly please replace the paragraph (last paragraph in 3.5. Molecular docking study): Thus, the results obtained from the molecular docking simu- lation studies confirmed that the binding mode was consistentwith the practical urease inhibitory activity (IC50 values) of the investigated compounds. Moreover, these promising results pro- vided us with some information about the main role of those compounds to structurally counter the ureolytic activity. Some direct and indirect advanced interactions between the active groups of the inhibitors and some functional residues located inside the active pocket of the enzyme are mainly happened. These interactions are appreciably contributed in reducing the enzyme activity. With the paragraph: Thus, the results obtained from the molecular docking simulation studies confirmed that the binding mode was consistent with the practical urease inhibitory activity (IC50 values) of the investigated compounds. Moreover, these promising results provided us with some information about the main role of those compounds in structurally countering the ureolytic activity. Some direct and indirect advanced interactions between the active groups of the inhibitors and some functional residues located inside the active pocket of the enzyme are mainly concerned. These interactions contribute appreciably to reducing the enzyme activity.The authors would like to apologise for any inconvenience caused.
Author(s): Al-Qaisi ZHJ, Al-Garawi ZS, Al-Karawi AJM, Hammood AJ, Abdallah AM, Clegg W, Mohamed GG
Publication type: Note
Publication status: Published
Journal: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Year: 2022
Volume: 274
Print publication date: 05/06/2022
Online publication date: 09/03/2022
Acceptance date: 02/04/2018
ISSN (print): 1386-1425
ISSN (electronic): 1873-3557
Publisher: Elsevier B.V.
URL: https://doi.org/10.1016/j.saa.2022.121102
DOI: 10.1016/j.saa.2022.121102
