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Identification of natural inhibitors targeting Trehalase of Anopheles funestus in the management of malaria: A Biocomputational assessment.
Al Ali, Amer; Asiri, Abdulaziz; Abu-Alghayth, Mohammed H; Althobiti, Maryam Musleh; Al Hader, Bandar Ali; Alhindi, Zain.
Afiliación
  • Al Ali A; Department of Medical Laboratory Sciences, College of Applied Medical Sciences, University of Bisha, 255, Al Nakhil, Bisha 67714, Saudi Arabia.
  • Asiri A; Department of Medical Laboratory Sciences, College of Applied Medical Sciences, University of Bisha, 255, Al Nakhil, Bisha 67714, Saudi Arabia.
  • Abu-Alghayth MH; Department of Medical Laboratory Sciences, College of Applied Medical Sciences, University of Bisha, 255, Al Nakhil, Bisha 67714, Saudi Arabia.
  • Althobiti MM; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Shaqra, Riyadh Province 15572, Saudi Arabia.
  • Al Hader BA; Central Committee of Drugs inspection of Eastern Region NGHA, P. O. Box 35151 Dhahran Saudia Arabia.
  • Alhindi Z; Department of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Umm Al-Qura University, Makkah, Saudi Arabia.
J Vector Borne Dis ; 2024 Jul 12.
Article en En | MEDLINE | ID: mdl-39066687
ABSTRACT
BACKGROUND

OBJECTIVES:

Anopheles funestus is playing an increasingly important role in malaria transmission in sub-Saharan Africa. Trehalase, an enzyme required for trehalose breakdown, is important for mosquito flight and stress adaptation. Hence, its inhibition has emerged as a promising malaria management strategy.

METHODS:

A collection of 1900 natural compounds from the ZINC database were screened against the 3D modeled structure of the A. funestus trehalase protein using in-silico tools. ADMET-AI, a web-based platform, was used to predict the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of the selected compounds.

RESULTS:

Here in this study, we report 5 natural compounds namely, ZINC00488388, ZINC00488525, ZINC00488566, ZINC00488304, and ZINC00488456 demonstrated strong binding affinity to the trehalase protein. These compounds interacted with critical residues of the trehalase protein and exhibited good drug-like characteristics. INTERPRETATION

CONCLUSION:

These compounds show promise as trehalase protein inhibitors for malaria management. Nonetheless, additional experimental studies are required to optimize these compounds as potential trehalase inhibitors.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Vector Borne Dis Asunto de la revista: MEDICINA TROPICAL / PARASITOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: Arabia Saudita Pais de publicación: India
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Vector Borne Dis Asunto de la revista: MEDICINA TROPICAL / PARASITOLOGIA Año: 2024 Tipo del documento: Article País de afiliación: Arabia Saudita Pais de publicación: India