Ab-initio Molecular Dynamics and Density Functional Theory Study of Amodiaquine Analogues as Potential Inhibitors of β-haematin Crystallization

The findings from this study are valuable because they can aid the design and understanding of new therapeutic molecules that could be used to treat drug-resistant malaria, a global threat of today.

Authors

Ibrahim Mbouombouo Ndassa (ORCID: https://orcid.org/0000-0003-0714-4982)
Pélagie Manwal A Mekoung (ORCID: https://orcid.org/0000-0002-8630-9118)
Kevin A. Lobb (ORCID: https://orcid.org/0000-0003-3023-0790)

Institutions

Université de Yaoundé I (CM)
Rhodes University (ZA)
National Radiation Protection Agency of Cameroon (CM)

Publication Details

Journal: Current Medicinal Chemistry
Published: 2025-04-16
DOI: https://doi.org/10.2174/0109298673346612250320080402
Primary Topic: Computational Drug Discovery Methods
Type: article
Field-Weighted Citation Impact: 0.00

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article

Ab-initio Molecular Dynamics and Density Functional Theory Study of Amodiaquine Analogues as Potential Inhibitors of β-haematin Crystallization

Ibrahim Mbouombouo Ndassa, Pélagie Manwal A Mekoung, Kevin A. Lobb

Apr 16, 2025

Current Medicinal Chemistry

Computational Drug Discovery Methods

article

Ab-initio Molecular Dynamics and Density Functional Theory Study of Amodiaquine Analogues as Potential Inhibitors of β-haematin Crystallization

Ibrahim Mbouombouo Ndassa, Pélagie Manwal A Mekoung, Kevin A. Lobb

April 16, 2025article en

Abstract

The findings from this study are valuable because they can aid the design and understanding of new therapeutic molecules that could be used to treat drug-resistant malaria, a global threat of today.

Current Medicinal ChemistryVol. 32(37)

Université de Yaoundé I (CM), Rhodes University (ZA), National Radiation Protection Agency of Cameroon (CM)

Good health and well-being

Openalex Percentile: Top 91%

Computational Drug Discovery Methods

DOI Source OpenAlex

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