Genome Wide In Silico Characterization of Ded1 Family of Helicases from Plasmodium Falciparum

Sourabh, Suman; Chauhan, Manish; Tuteja, Renu

doi:10.1016/b978-0-12-814685-9.00006-3

Cited by 1 publication

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“…9 The P. falciparum species being the most life-threatening species for humans utilize its cysteine protease, falcipain-2 (FP2) and FP3, in hemoglobin hydrolysis and the phase completion of the parasite's development in man. 9,10 It has been reported that the knockout of FP2 blocks hemoglobin hydrolysis. 11 Thus, the inhibition of the hydrolysis of hemoglobin leads to the death of the P. falciparum, most especially at its trophozoite phase of development.…”

Section: Introductionmentioning

confidence: 99%

In silico Evaluation of the Inhibitory Potential of Cymbopogonol from Cymbopogon citratus Towards Falcipain-2 (FP2) Cysteine Protease of Plasmodium falciparum

2022

TJNPR

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Antimicrobial resistance is a major challenge militating against the health of people globally. Plasmodium falciparum has developed resistance to current drugs used in tackling malaria, and this has remarkably contributed to an increased mortality rate in Sub-Saharan Africa. The inhibitory potential of cymbopogonol against Falcipain-2 (FP2) of the Plasmodium falciparum parasite was evaluated and achieved using a computational approach in this study. SwissADME, ADMETLab, and PROTOX-II servers were used to evaluate cymbopogonol's absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties in comparison to the other ligands. The test compound had a better docking score of -8.40 kcal/mol compared to the standard and co-crystallized ligand. The compound also had a hydrophobic interaction with LEU I:78, MET I:29, VAL I:44, VAL I:47, LEU I:25, and ARG I:43 present in the FP2 receptorbinding motif of the malaria parasite. The compound also possesses a favorable ADMET characteristics and demonstrated no tendency towards hERG inhibition, hepatotoxicity, carcinogenicity, mutagenicity, or drug-liver injury. Therefore, cymbopogonol may be used for experimental research and future medication development for the successful treatment of malaria.

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Section: Introductionmentioning

confidence: 99%

In silico Evaluation of the Inhibitory Potential of Cymbopogonol from Cymbopogon citratus Towards Falcipain-2 (FP2) Cysteine Protease of Plasmodium falciparum

2022

TJNPR

View full text Add to dashboard Cite

show abstract

Genome Wide In Silico Characterization of Ded1 Family of Helicases from Plasmodium Falciparum

Cited by 1 publication

References 62 publications

In silico Evaluation of the Inhibitory Potential of Cymbopogonol from Cymbopogon citratus Towards Falcipain-2 (FP2) Cysteine Protease of Plasmodium falciparum

In silico Evaluation of the Inhibitory Potential of Cymbopogonol from Cymbopogon citratus Towards Falcipain-2 (FP2) Cysteine Protease of Plasmodium falciparum

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