REUSE OF ERGOTAMINE AGAINST DENGUEVIRUS SEROTYPES

• Main Authors: MENDOZA BARRERA Claudia Olivia, TENORIO BARAJAS Aldo Yair, ALTUZAR AGUILAR Víctor Manuel, REYES CHAPARRO Andrés, MUÑOZ AGUIRRE Severino
• Format: Patent
• Language: English; Spanish
• Published: 14.06.2024
• Subjects: HUMAN NECESSITIES; HYGIENE; MEDICAL OR VETERINARY SCIENCE; PREPARATIONS FOR MEDICAL, DENTAL, OR TOILET PURPOSES; SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS ORMEDICINAL PREPARATIONS

The present invention discloses the virtual screening of 1609 FDA-approved drugs with six prM and E proteins from the four DENV serotypes through two software programs. It also identifies five potential inhibitors with high binding energy values as candidates against the dengue virus, including digoxin, ergotamine, paritaprevir, naldemedine, trypan blue, and nystatin. The molecular dynamics of the ergotamine ligand showed its temporal stability, and given its low side effects, it could serve as an inhibitor of the infection mechanism of DENV-I and DENV-III viruses. La presente invención describe la detección virtual de 1609 medicamentos aprobados por la FDA con seis proteínas prM y E de los cuatro serotipos de DENV a través de dos software. Se identificaron cinco inhibidores potenciales con altos valores de energía de unión como candidatos contra el virus del dengue, incluidos la digoxina, la ergotamina, el paritaprevir, la naldemedina, el azul tripán y la nistatina. La dinámica molecular del ligando ergotamina mostró su estabilidad temporal, y dados sus bajos efectos secundarios, podría servir como inhibidor del mecanismo de infección del virus DENV-I y DENV-III.