Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study
Snakebite is a neglected disease with a high impact in tropical and subtropical countries. Therapy based on antivenom has limited efficacy in local tissue damage caused by venoms. Phospholipases A<sub>2</sub> (PLA<sub>2</sub>) are enzymes that abundantly occur in snake venoms...
| Autores principales: | , , , |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2020
|
| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/107866 http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC7144397&blobtype=pdf https://www.mdpi.com/1420-3049/25/6/1373 |
| Aporte de: |
| id |
I19-R120-10915-107866 |
|---|---|
| record_format |
dspace |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas PLA2 inhibitor thioester carbodithioate molecular docking snake venoms |
| spellingShingle |
Ciencias Exactas PLA2 inhibitor thioester carbodithioate molecular docking snake venoms Henao Castañeda, Isabel Pereañez, Jaime Andrés Preciado, Lina María Jios, Jorge Luis Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| topic_facet |
Ciencias Exactas PLA2 inhibitor thioester carbodithioate molecular docking snake venoms |
| description |
Snakebite is a neglected disease with a high impact in tropical and subtropical countries. Therapy based on antivenom has limited efficacy in local tissue damage caused by venoms. Phospholipases A<sub>2</sub> (PLA<sub>2</sub>) are enzymes that abundantly occur in snake venoms and induce several systemic and local effects. Furthermore, sulfur compounds such as thioesters have an inhibitory capacity against a snake venom PLA<sub>2</sub>. Hence, the objective of this work was to obtain a carbodithioate from a thioester with known activity against PLA<sub>2</sub> and test its ability to inhibit the same enzyme. Benzyl 4-nitrobenzenecarbodithioate (I) was synthesized, purified, and characterized using as precursor 4-nitrothiobenzoic acid S-benzyl ester (II). Compound I showed inhibition of the enzymatic activity a PLA<sub>2</sub> isolated from the venom of the Colombian rattlesnake <i>Crotalus durissus cumanensis</i> with an IC<sub>50</sub> of 55.58 µM. This result is comparable with the reported inhibition obtained for II. Computational calculations were performed to support the study, and molecular docking results suggested that compounds I and II interact with the active site residues of the enzyme, impeding the normal catalysis cycle and attachment of the substrate to the active site of the PLA<sub>2</sub>. |
| format |
Articulo Articulo |
| author |
Henao Castañeda, Isabel Pereañez, Jaime Andrés Preciado, Lina María Jios, Jorge Luis |
| author_facet |
Henao Castañeda, Isabel Pereañez, Jaime Andrés Preciado, Lina María Jios, Jorge Luis |
| author_sort |
Henao Castañeda, Isabel |
| title |
Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| title_short |
Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| title_full |
Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| title_fullStr |
Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| title_full_unstemmed |
Sulfur Compounds as Inhibitors of Enzymatic Activity of a Snake Venom Phospholipase A<sub>2</sub>: Benzyl 4-nitrobenzenecarbodithioate as a Case of Study |
| title_sort |
sulfur compounds as inhibitors of enzymatic activity of a snake venom phospholipase a<sub>2</sub>: benzyl 4-nitrobenzenecarbodithioate as a case of study |
| publishDate |
2020 |
| url |
http://sedici.unlp.edu.ar/handle/10915/107866 http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC7144397&blobtype=pdf https://www.mdpi.com/1420-3049/25/6/1373 |
| work_keys_str_mv |
AT henaocastanedaisabel sulfurcompoundsasinhibitorsofenzymaticactivityofasnakevenomphospholipaseasub2subbenzyl4nitrobenzenecarbodithioateasacaseofstudy AT pereanezjaimeandres sulfurcompoundsasinhibitorsofenzymaticactivityofasnakevenomphospholipaseasub2subbenzyl4nitrobenzenecarbodithioateasacaseofstudy AT preciadolinamaria sulfurcompoundsasinhibitorsofenzymaticactivityofasnakevenomphospholipaseasub2subbenzyl4nitrobenzenecarbodithioateasacaseofstudy AT jiosjorgeluis sulfurcompoundsasinhibitorsofenzymaticactivityofasnakevenomphospholipaseasub2subbenzyl4nitrobenzenecarbodithioateasacaseofstudy |
| bdutipo_str |
Repositorios |
| _version_ |
1764820443719532544 |