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Published on:January 2022
Indian Journal of Pharmaceutical Education and Research, 2022; 56(1):215-223
Original Article | doi:10.5530/ijper.56.1.25

Hydroxychloroquine Metabolites – An Exploratory Computational Study


Authors and affiliation (s):

Mohammed Monirul Islam1,*, Purna Sivarama Singh2, Sayeed Rushd3

1Department of Biomedical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa, SAUDI ARABIA.

2Department of Biomedical Sciences, College of Medicine, King Faisal University, Al-Ahsa, SAUDI ARABIA.

3Department of Chemical Engineering, College of Engineering, King Faisal University, Al- Ahsa, SAUDI ARABIA.

Abstract:

Background: HCQ has been found to provide the immunomodulation that helps to abate the possible cytokine storm response caused by the SARS COVID-19 virus and subsequent failures of major organs. It is also being used historically in treating Malaria and Rheumatoid arthritis and is known to be useful in cancer treatment. However, it shows a half-life of up to 70 days and has severe adverse effects including gastric disorders and retinopathy. Hypothesis: Therefore, we propose to explore some of its metabolites/ intermediates namely Desethyl hydroxychloroquine (DHCQ), Desethyl chloroquine (DCQ), and Bis-desethyl chloroquine (BDCQ) as alternate drug systems with minimized toxicity. Results and Discussion: The structural and spectral studies of these lead compounds to be unraveled using computational modeling and the evaluation of ADME parameters such as absorption, distribution, metabolism, and excretion would be performed using the SwissADME tool to assess the drug-likeness and medicinal chemistry friendliness. The future scope of the work involves the docking studies of these compounds to assess the therapeutic compliance for the treatment of viral infections and rheumatoid arthritis.

Key words: Hydroxychloroquine metabolites, COVID-19 drugs, Computational, ADME studies, Rheumatoid arthritis, Immunomodulation.

 




 

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The Official Journal of Association of Pharmaceutical Teachers of India (APTI)
(Registered under Registration of Societies Act XXI of 1860 No. 122 of 1966-1967, Lucknow)

Indian Journal of Pharmaceutical Education and Research (IJPER) [ISSN-0019-5464] is the official journal of Association of Pharmaceutical Teachers of India (APTI) and is being published since 1967.

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