Inhibitors | Comment | Organism | Structure |
---|---|---|---|
additional information | analysis of triazoles, diazoles, and thiazoles for their reversible inhibition and agonist activity. The chemical nature and position of substituents (chemical groups) on diazoles and triazole ring have different contributions to inhibition, while functional groups having resonating charges have a significant role for agonist activity. The electrophilicity originates from the interelectronic exchange interaction, the LUMO energy and spherical shape are the key factors. The antagonist activity of diazoles is electronically a function of HOMONL energy and stereochemically a function of branching index and number of ring system. Localized charges have a negative contribution to the agonist activity, whereas the delocalized charges in diazoles and thiazoles increase the agonist behaviour | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P11511 | - |
- |