Plasmepsin II inhibitory potential of phytochemicals isolated from African antimalarial plants: a computational approach

Faloye, Kolade O.; Tripathi, Manish Kumar; Fakola, Emmanuel G.; Adepiti, Awodayo O.; Adesida, Stephen A.; Oyeleke, Ibukun O.; Adebayo, Praise A.; Aregbesola, Adeola E.; Famuyiwa, Samson O.; Akinyele, Olawale F.

doi:10.1080/07391102.2023.2283146

Journal of Biomolecular Structure and Dynamics

2023

DOI: 10.1080/07391102.2023.2283146

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Plasmepsin II inhibitory potential of phytochemicals isolated from African antimalarial plants: a computational approach

Kolade O. Faloye,

Manish Kumar Tripathi,

Emmanuel G. Fakola

et al.

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2024

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Cited by 2 publications

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Exploring Antimalarial and Cytotoxic Activities of Hibiscus cannabinus and Corchorus capsularis Extracts Through In‐Vitro and In‐Silico Approaches

Brahma,

Barooah,

Maruthi

2024

Chemistry & Biodiversity

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Malaria disease is an infectious disease, endemic to tropical and sub‐tropical regions causing half a million people’s deaths every year. Bioactive compounds derived from medicinal plants are used to treat malaria disease. H. cannabinus and C. capsularisare two edible medicinal plants abundant in distribution in the Assam region, India. In this study, in‐vitro and in‐silico investigations were performed to explore the anti‐malarial activity of the plant extracts against Plasmodium falciparum with its validation of hemocompatibility on human RBC. We report H. cannabinus and C. capsularis extracts possess highly potent antimalarial activity against Plasmodium falciparum with IC50 values of 3.80 ± 0.3 μg/mL and 7.90 ± 0.8 μg/mL, respectively. The plant extracts showed growth inhibition of A549 lung adenocarcinoma cells, no toxicity on noncancerous Vero cells, and no hemolytic activity on human RBCs. The GC‐MS analysis detected bioactive compounds 2‐pyrazoline‐3‐carboxylic acid; 5‐hydroxy‐1‐(4‐methyl benzoyl)‐5‐phen 5‐oxo‐1‐phenyl‐4H‐pyrazole‐3‐carboxylic acid; 9‐oximino‐2,7‐diethoxyfluorene; and nonane‐diamide, n, n'‐di‐benzoyloxy in H. cannabinus; and, (+)‐sesamin; tetrahydropyran‐4‐carboxylic acid, 4‐phenyl‐, (3‐chloro‐4‐methylphenyl; and safrole in C. capsularis. In the in‐silico study, antimalarial compounds in the extracts were predicted with good binding affinities of docking score < ‐7.5 kcal/mol on Falcipain‐2, and Cyt C2 proteins that help the growth and invasion of P. falciparum.

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Exploring Antimalarial and Cytotoxic Activities of Hibiscus cannabinus and Corchorus capsularis Extracts Through In‐Vitro and In‐Silico Approaches

Brahma,

Barooah,

Maruthi

2024

Chemistry & Biodiversity

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Bioactive compounds as therapeutic proposals against Plasmodium falciparum: A systematic review

Muñoz-Verbel,

Mendoza-Galiz,

Cueto-Almeida

et al. 2024

Biochemical Systematics and Ecology

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Plasmepsin II inhibitory potential of phytochemicals isolated from African antimalarial plants: a computational approach

Cited by 2 publications

References 38 publications

Exploring Antimalarial and Cytotoxic Activities of Hibiscus cannabinus and Corchorus capsularis Extracts Through In‐Vitro and In‐Silico Approaches

Exploring Antimalarial and Cytotoxic Activities of Hibiscus cannabinus and Corchorus capsularis Extracts Through In‐Vitro and In‐Silico Approaches

Bioactive compounds as therapeutic proposals against Plasmodium falciparum: A systematic review

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