Cheminformatics-enhanced discovery of therapeutic agents targeting isocitrate lyase in

Mycobacterium tuberculosis QSAR Tuberculosis free energy landscape isocitrate lyase molecular dynamics simulations

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
18 Sep 2024
Historique:
medline: 19 9 2024
pubmed: 19 9 2024
entrez: 19 9 2024
Statut: aheadofprint

Résumé

Tuberculosis (TB) is a global health challenge; therefore, there is an urgent requirement to develop a novel and more effective anti-TB therapeutic. This study targeted the isocitrate lyase (ICL) protein due to its pivotal role in the pathogenicity of

Identifiants

DOI: 10.1080/07391102.2024.2404145 PMID: 39295212
pubmed: 39295212
doi: 10.1080/07391102.2024.2404145
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

1-18

Auteurs

Aftab Alam (A)

Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia.

Mohammed H Alqarni (MH)

Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia.

Bader S Alotaibi (BS)

Department of Clinical Laboratory Science, College of Applied Medical Sciences, Al-Quwayiyah, Shaqra University, Riyadh, Saudi Arabia.

Farhan R Khan (FR)

Department of Clinical Laboratory Science, College of Applied Medical Sciences, Al-Quwayiyah, Shaqra University, Riyadh, Saudi Arabia.

Md Shamsher Alam (MS)

Department of Pharmaceutical Chemistry and Pharmacognosy, College of Pharmacy, Jazan University, Jazan, Saudi Arabia.

Faris F Aba Alkhayl (FF)

Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia.

Ali A Alhafi (AA)

Department of Pharmaceutical Sciences, College of Pharmacy, Shaqra University, Al-Dawadmi, Saudi Arabia.

Turki M Almutairi (TM)

Department of Pharmaceutical Sciences, College of Pharmacy, Shaqra University, Al-Dawadmi, Saudi Arabia.

Zeyad M Alharbi (ZM)

Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk, Saudi Arabia.

Faez Falah Alshehri (FF)

Department of Medical Laboratories, College of Applied Medical Sciences, Shaqra University, Ad Dawadimi, Saudi Arabia.

Classifications MeSH