Hydroxychloroquine metabolites – an exploratory computational study
By: Islam, Mohammed Monirul
.
Contributor(s): Singh, Purna Sivarama.
Publisher: Karnataka Association of Pharmaceutical Teachers of India (APTI) 2022Edition: Vol.56(1), Jan-Mar.Description: 215-223p.Subject(s): PHARMACEUTICSOnline resources: Click here
In:
Indian journal of pharmaceutical education and researchSummary: 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.
| Item type | Current location | Call number | Status | Date due | Barcode | Item holds |
|---|---|---|---|---|---|---|
Articles Abstract Database
|
School of Pharmacy Archieval Section | Not for loan | 2022-1719 |
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.
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