Machine learning and molecular docking prediction of potential inhibitors against dengue virus.

Journal: Frontiers in chemistry
Published Date: Dec 24, 2024

Abstract

INTRODUCTION: Dengue Fever continues to pose a global threat due to the widespread distribution of its vector mosquitoes, and . While the WHO-approved vaccine, Dengvaxia, and antiviral treatments like Balapiravir and Celgosivir are available, challenges such as drug resistance, reduced efficacy, and high treatment costs persist. This study aims to identify novel potential inhibitors of the Dengue virus (DENV) using an integrative drug discovery approach encompassing machine learning and molecular docking techniques.

Authors

  • George Hanson
    Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana.
  • Joseph Adams
    Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana.
  • Daveson I B Kepgang
    Department of Biochemistry, Faculty of Sciences, University of Douala, Douala, Cameroon.
  • Luke S Zondagh
    Pharmaceutical Chemistry, School of Pharmacy, University of Western Cape Town, Cape Town, South Africa.
  • Lewis Tem Bueh
    Department of Computer Engineering, Faculty of Engineering and Technology, University of Buea, Buea, Cameroon.
  • Andy Asante
    Department of Immunology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Accra, Ghana.
  • Soham A Shirolkar
    College of Engineering, University of South Florida, Florida, United States.
  • Maureen Kisaakye
    Department of Immunology and Molecular Biology, College of Health Sciences, Makerere University, Kampala, Uganda.
  • Hem Bondarwad
    Department of Biotechnology and Bioinformatics, Deogiri College, Dr. Babasaheb Ambedkar Marathwada University, Sambhajinagar, India.
  • Olaitan I Awe
    African Society for Bioinformatics and Computational Biology, Cape Town, South Africa.

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