A Molecular Docking Approach to Evaluate the Pharmacological Properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N`-(1-(3-hydroxyphenyl)vinyl)-5-(thiophen-2-yl)1H-1,2,3-triazole-4-carbohydrazide Treatment Candidate for Use against COVID-19

Authors : Mohamed ALAMİN MOHAMMED AHMED

Pages : 27-31

Doi:10.51539/biotech.1110858

View : 24 | Download : 10

Publication Date : 2022-12-30

Article Type : Research Paper

Abstract :In recent years, the new coronavirus known as COVID-19 has recently caused a pandemic that has caused serious health problems. Currently, the virus is spreading rapidly all over the world , and finding potential antiviral drugs that can inhibit virus proteins is crucial. Recently, CoVID-19 crystal structure elucidated such as major protease Mpro insert ignore into journalissuearticles values(PDB: 6LU7);, SARS-CoV- main peptidase insert ignore into journalissuearticles values(2GTB);, human ACE2 insert ignore into journalissuearticles values(PDB: 1O86);, human coronavirus papain-like proteases insert ignore into journalissuearticles values(PDB: 4OW0); SARS-Coronavirus NSP12 protein insert ignore into journalissuearticles values(PDB: 6NUR);, COVID-19 main protease insert ignore into journalissuearticles values(PDB:6lu7); . These proteins are important for replication of virus , so they are potential targets for CoVID-19 drugs. In this study, we used the molecular docking models to study the binding interactions between anodyne called 1-insert ignore into journalissuearticles values(4-amino-1,2,5-oxadiazol-3-yl);-N\`-insert ignore into journalissuearticles values(1-insert ignore into journalissuearticles values(3-hydroxyphenyl);vinyl);-5-insert ignore into journalissuearticles values(thiophen-2-yl);-1H-1,2,3-triazole-4-carbohydrazideinsert ignore into journalissuearticles values(Zinc ID 000002613203); using MOE 2015.10. It has been observed Obtained results by molecular docking showed that a stronger bond and high affinity with 4OW0 -8.1949, 6lu7 -7.7925, 1O86-7.5757, -6.7832 -7.4101, 2GTB -7.2510 kcal/mol); Based on the binding energy score, these compound are suitable for testing against Coronavirus and could be considered potential inhibitors COVID-19 infection.);
Keywords : Anti viral effects, Molecular docking, MOE, COVID 19