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000303971 1001_ $$aOkafor, Esther O$$b0
000303971 245__ $$aTargeting invasion-associated proteins PfSUB2 and PfTRAMP in Plasmodium falciparum: identification of potential inhibitors via molecular docking.
000303971 260__ $$aLondon$$bBioMed Central$$c2025
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000303971 520__ $$aPlasmodium falciparum subtilisin-like protease 2 (PfSUB2) is responsible for processing Plasmodium falciparum thrombospondin-related apical merozoite protein (PfTRAMP). These proteins are essential for asexual blood stage growth and RBC invasion and have, therefore, been identified as potential drug targets. This study predicted the three-dimensional structure of PfSUB2 and PfTRAMP and identified potential inhibitors using molecular docking methods. Five hundred nineteen compounds were docked against both proteins with AutoDock Vina in PyRx. Compounds 139,974,934 and 154,414,021 exhibited better binding affinities when compared to the standard inhibitors, PMSF, which highlights them as suitable inhibitors and potential antimalarials targeting PfTRAMP and PfSUB2. It also highlights 155,204,487 as a compound with dual antimalarial target potential, exhibiting a better binding affinity to PfTRAMP and PfSUB2. The study recommends 139,974,934, 154,414,021, and 155,204,487 as possible compounds for antimalarial drug development.
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000303971 650_7 $$2Other$$aPlasmodium falciparum
000303971 650_7 $$2Other$$aMalaria
000303971 650_7 $$2Other$$aMolecular Docking
000303971 650_7 $$2Other$$aSubtilisin-like protease 2
000303971 650_7 $$2Other$$aThrombospondin-related apical merozoite protein
000303971 650_7 $$2NLM Chemicals$$aPTRAMP protein, Plasmodium
000303971 650_7 $$2NLM Chemicals$$aMembrane Proteins
000303971 650_7 $$2NLM Chemicals$$aProtozoan Proteins
000303971 650_7 $$0EC 3.4.21.-$$2NLM Chemicals$$asub-2 protein, Plasmodium falciparum
000303971 650_7 $$0EC 3.4.21.-$$2NLM Chemicals$$aSubtilisins
000303971 650_7 $$2NLM Chemicals$$aAntimalarials
000303971 650_2 $$2MeSH$$aPlasmodium falciparum: physiology
000303971 650_2 $$2MeSH$$aMembrane Proteins: antagonists & inhibitors
000303971 650_2 $$2MeSH$$aMembrane Proteins: chemistry
000303971 650_2 $$2MeSH$$aProtozoan Proteins: antagonists & inhibitors
000303971 650_2 $$2MeSH$$aProtozoan Proteins: chemistry
000303971 650_2 $$2MeSH$$aSubtilisins: antagonists & inhibitors
000303971 650_2 $$2MeSH$$aSubtilisins: chemistry
000303971 650_2 $$2MeSH$$aMolecular Docking Simulation
000303971 650_2 $$2MeSH$$aModels, Chemical
000303971 650_2 $$2MeSH$$aMolecular Targeted Therapy
000303971 650_2 $$2MeSH$$aPharmacokinetics
000303971 650_2 $$2MeSH$$aMalaria, Falciparum: drug therapy
000303971 650_2 $$2MeSH$$aAntimalarials: chemistry
000303971 650_2 $$2MeSH$$aAntimalarials: isolation & purification
000303971 650_2 $$2MeSH$$aAntimalarials: pharmacokinetics
000303971 650_2 $$2MeSH$$aAntimalarials: pharmacology
000303971 7001_ $$aBella-Omunagbe, Mercy$$b1
000303971 7001_ $$aElugbadebo, Temitope$$b2
000303971 7001_ $$aDokunmu, Titilope M$$b3
000303971 7001_ $$0P:(DE-He78)e66b15b8b7489783bf2775306fd04f0c$$aAdebiyi, Ezekiel Femi$$b4$$eLast author$$udkfz
000303971 773__ $$0PERI:(DE-600)2041550-3$$a10.1186/s12879-025-11380-w$$gVol. 25, no. 1, p. 1038$$n1$$p1038$$tBMC infectious diseases$$v25$$x1471-2334$$y2025
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