In-silico screening, pharmacokinetic evaluation, DFT study, and molecular dynamic simulation as approaches for the identification of acetamide and acetic acid derivatives as potential antisickling agents targeting Hba protein

In-silico screening, pharmacokinetic evaluation, DFT study, and molecular dynamic simulation as approaches for the identification of acetamide and acetic acid derivatives as potential antisickling agents targeting Hba protein

Abstract One of the most prevalent genetic conditions is sickle cell disease (SCD), a multiorgan condition that impacts about 15 million people around the globe. The current standard of care for SCD mainly consists of hydroxyurea therapy or supportive care, which includes hydration, blood transfusio...

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Bibliographic Details
Main Authors: Stephen Ejeh, Abduljelil Ajala, Samuel Ndaghiya Adawara, Olasupo Sabitu Babatunde, Zakari Ya’u Ibrahim, Usman Abdulfatai
Format: Article
Language:English
Published: Springer 2025-03-01
Series:Discover Chemistry
Subjects:
Sickle cell disease
In-silico screening
Pharmacokinetic evaluation
DFT study
Antisickle agents
Hba protein
Online Access:https://doi.org/10.1007/s44371-025-00136-9
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