Caracterización in silico de la proteínaLeishmanolisina (GP63) de Leishmaniabraziliensis y búsqueda de epitopes de utilidadpara el desarrollo de vacunas

Rodríguez, Luis A.; Sandoval, Gustavo A.

doi:10.21679/arc.v2i2.43

Cited by 2 publications

(2 citation statements)

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“…report that the homology model of L. braziliensis shows percentage of residues in favorable regions very similar to those reported in this article for the study of leishmanolysin. , …”

Section: Resultssupporting

confidence: 86%

“…Rodriguez et al report that the homology model of L. braziliensis shows percentage of residues in favorable regions very similar to those reported in this article for the study of leishmanolysin. 20,21 The analysis of the models with ProSA-web service shows a Z-score between −8.27 and −9.81 (acceptable values are below 0.5). The global score was between −0.98 and −1.49.…”

Section: Resultsmentioning

confidence: 99%

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Homology Modeling of Leishmanolysin (gp63) from Leishmania panamensis and Molecular Docking of Flavonoids

et al. 2020

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Leishmaniasis is a chronic disease caused by protozoa of the distinct Leishmania genus transmitted by sandflies of the genus Phlebotomus (old world) and Lutzomyia (new world). Among the molecular factors that contribute to the virulence and pathogenesis of Leishmania are metalloproteases, e.g., glycoprotein 63 (gp63), also known as leishmanolysin or major surface protease (MSP). This protease is a zinc-dependent metalloprotease that is found on the surface of the parasite, abundant in Leishmania promastigote and amastigote. This study describes the prediction of three-dimensional (3D) structures of leishmanolysin (UniProt ID A0A088RJX7) of Leishmania panamensis employing a homology modeling approach. The 3D structure prediction was performed using the SWISS-MODEL web server. The tools PROCHECK, Molprobyty, and Verify3D were used to check the quality of the model, indicating that they are reliable. Best docking configurations were identified applying AutoDock Vina in PyRx 0.8 to obtain a potential antileishmanial activity. Biflavonoids such as lanaroflavone, podocarpusflavone A, amentoflavone, and podocarpusflavone B showed good scores among these molecules. Lanaroflavone appears to be the most suitable compound from binding affinity calculations.

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“…report that the homology model of L. braziliensis shows percentage of residues in favorable regions very similar to those reported in this article for the study of leishmanolysin. , …”

Section: Resultssupporting

confidence: 86%

Section: Resultsmentioning

confidence: 99%