Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline

Journals

Article Types

Countries / Regions

Search Results (1)

Search Parameters:
Keywords = bis-(3-phenylthiourea)

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
17 pages, 3540 KB  
Article
Synthesis and In Silico Study of Some New bis-[1,3,4]thiadiazolimines and bis-Thiazolimines as Potential Inhibitors for SARS-CoV-2 Main Protease
by Sobhi M. Gomha, Sayed M. Riyadh, Magda H. Abdellattif, Tariq Z. Abolibda, Hassan M. Abdel-aziz, AbdElAziz. A. Nayl, Alaa M. Elgohary and Abdo A. Elfiky
Curr. Issues Mol. Biol. 2022, 44(10), 4540-4556; https://doi.org/10.3390/cimb44100311 - 30 Sep 2022
Cited by 12 | Viewed by 2924
Abstract
A novel series of bis-[1,3,4]thiadiazolimines, and bis-thiazolimines, with alkyl linker, were synthesized through general routes from cyclization of 1,1′-(hexane-1,6-diyl)bis(3-phenylthiourea) and hydrazonoyl halides or α-haloketones, respectively. Docking studies were applied to test the binding affinity of the synthesized products against the [...] Read more.
A novel series of bis-[1,3,4]thiadiazolimines, and bis-thiazolimines, with alkyl linker, were synthesized through general routes from cyclization of 1,1′-(hexane-1,6-diyl)bis(3-phenylthiourea) and hydrazonoyl halides or α-haloketones, respectively. Docking studies were applied to test the binding affinity of the synthesized products against the Mpro of SARS-CoV-2. The best compound, 5h, has average binding energy (−7.50 ± 0.58 kcal/mol) better than that of the positive controls O6K and N3 (−7.36 ± 0.34 and −6.36 ± 0.31 kcal/mol). Additionally, the docking poses (H-bonds and hydrophobic contacts) of the tested compounds against the Mpro using the PLIP web server were analyzed. Full article
(This article belongs to the Special Issue Drug Development and Repositioning Methodology on COVID-19)
Show Figures

Figure 1

Back to TopTop