Goma’a, Hebat-Allah M. published the artcileSynthesis, Biological Evaluation and In Silico Studies of 1,2,4-Triazole and 1,3,4-Thiadiazole Derivatives as Antiherpetic Agents, Related Products of esters-buliding-blocks, the publication is ChemistrySelect (2019), 4(21), 6421-6428, database is CAplus.
Two isosteric series of 1,2,4-triazole and 1,3,4-thiadiazole derivatives were synthesized and evaluated for their antiviral activity against herpes simplex virus type 1, HSV-1, using acyclovir (ACV) as a reference drug. In addition, mol. docking into the active site of HSV-1 thymidine kinase was performed to interpret the data obtained from biol. testing, and all compounds were subjected to an in-silico screening of their physicochem. properties to estimate their drug-likeness and safety. The results revealed that triazolopyrimidine derivative I was able to reduce the viral plaques by 50% at a dose of 80 μM, but interestingly, retained high selectivity compared to ACV (>200 μM vs. 80 μM). The best effective and safe compound in this study, triazolopyrimidine derivative I, was further tested for its combined effects with ACV on the anti-HSV-1 activity in the plaque reduction assay. This compound proved to improve the selectivity of ACV and reduce its ED that produced 100% inhibition of viral plaques. The compound I was suggested to be a promising candidate for further development as an antiherpetic agent. Mol. docking into the active site of HSV-1 thymidine kinase emphasized the superior interaction of the compound I.
ChemistrySelect published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Related Products of esters-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics