Home > Publications database > Targeting invasion-associated proteins PfSUB2 and PfTRAMP in Plasmodium falciparum: identification of potential inhibitors via molecular docking. > print

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041 _ _ |a English
082 _ _ |a 610
100 1 _ |a Okafor, Esther O
|b 0
245 _ _ |a Targeting invasion-associated proteins PfSUB2 and PfTRAMP in Plasmodium falciparum: identification of potential inhibitors via molecular docking.
260 _ _ |a London
|c 2025
|b BioMed Central
336 7 _ |a article
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520 _ _ |a Plasmodium falciparum subtilisin-like protease 2 (PfSUB2) is responsible for processing Plasmodium falciparum thrombospondin-related apical merozoite protein (PfTRAMP). These proteins are essential for asexual blood stage growth and RBC invasion and have, therefore, been identified as potential drug targets. This study predicted the three-dimensional structure of PfSUB2 and PfTRAMP and identified potential inhibitors using molecular docking methods. Five hundred nineteen compounds were docked against both proteins with AutoDock Vina in PyRx. Compounds 139,974,934 and 154,414,021 exhibited better binding affinities when compared to the standard inhibitors, PMSF, which highlights them as suitable inhibitors and potential antimalarials targeting PfTRAMP and PfSUB2. It also highlights 155,204,487 as a compound with dual antimalarial target potential, exhibiting a better binding affinity to PfTRAMP and PfSUB2. The study recommends 139,974,934, 154,414,021, and 155,204,487 as possible compounds for antimalarial drug development.
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650 _ 7 |a Plasmodium falciparum
|2 Other
650 _ 7 |a Malaria
|2 Other
650 _ 7 |a Molecular Docking
|2 Other
650 _ 7 |a Subtilisin-like protease 2
|2 Other
650 _ 7 |a Thrombospondin-related apical merozoite protein
|2 Other
650 _ 7 |a PTRAMP protein, Plasmodium
|2 NLM Chemicals
650 _ 7 |a Membrane Proteins
|2 NLM Chemicals
650 _ 7 |a Protozoan Proteins
|2 NLM Chemicals
650 _ 7 |a sub-2 protein, Plasmodium falciparum
|0 EC 3.4.21.-
|2 NLM Chemicals
650 _ 7 |a Subtilisins
|0 EC 3.4.21.-
|2 NLM Chemicals
650 _ 7 |a Antimalarials
|2 NLM Chemicals
650 _ 2 |a Plasmodium falciparum: physiology
|2 MeSH
650 _ 2 |a Membrane Proteins: antagonists & inhibitors
|2 MeSH
650 _ 2 |a Membrane Proteins: chemistry
|2 MeSH
650 _ 2 |a Protozoan Proteins: antagonists & inhibitors
|2 MeSH
650 _ 2 |a Protozoan Proteins: chemistry
|2 MeSH
650 _ 2 |a Subtilisins: antagonists & inhibitors
|2 MeSH
650 _ 2 |a Subtilisins: chemistry
|2 MeSH
650 _ 2 |a Molecular Docking Simulation
|2 MeSH
650 _ 2 |a Models, Chemical
|2 MeSH
650 _ 2 |a Molecular Targeted Therapy
|2 MeSH
650 _ 2 |a Pharmacokinetics
|2 MeSH
650 _ 2 |a Malaria, Falciparum: drug therapy
|2 MeSH
650 _ 2 |a Antimalarials: chemistry
|2 MeSH
650 _ 2 |a Antimalarials: isolation & purification
|2 MeSH
650 _ 2 |a Antimalarials: pharmacokinetics
|2 MeSH
650 _ 2 |a Antimalarials: pharmacology
|2 MeSH
700 1 _ |a Bella-Omunagbe, Mercy
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700 1 _ |a Elugbadebo, Temitope
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700 1 _ |a Dokunmu, Titilope M
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700 1 _ |a Adebiyi, Ezekiel Femi
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773 _ _ |a 10.1186/s12879-025-11380-w
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