Novel Pyruvate Kinase (PK) Inhibitors: New Target to Overcome Bacterial Resistance was written by El Sayed, Mardia T.;Sarhan, Alaadin E.;Ahmed, Entsar;Khattab, Reham R.;Elnaggar, Mohamed;El-Messery, Shahenda M.;Shaldam, Moataz A.;Hassan, Ghada S.. And the article was included in ChemistrySelect in 2020.Formula: C6H6N4 This article mentions the following:
In the present investigation, some novel nitro Mannich bases derived from Michael type addition of activated nitro olefin, beta-nitrostyrene with various amines either primary or secondary including some amino sugars were designed and synthesized. The produced Mannich bases have been full characterized through different spectroscopic techniques. Antimicrobial evaluation has been performed against the Gram pos. S. aureus and methicillin-resistant S. aurues (MRSA) infections. 5 of the synthesized compounds represent the best candidates in the biol. screening, they have exhibited good activity with MIC values range from 100 to 250 mug/mL. The active agents have been tested for pyruvate kinase inhibition activity with % of inhibition range from 30 to 79% with IC50 in a nano molar range. They also exhibited significant Pyruvate kinase inhibition in nanomolar range with IC50 of 1066, 662, 1887, 418 and 1128 ng/mL, resp. (vs. 196 ng/mL for AZD7545). Mol. docking calculations for active agents were performed. A complete conformational anal. mol. modeling utilizing Gaussian 09 program (HF/DFT) was used to verify the mode of bonding through the optimized geometries as well as essential quantum parameters were calculated using frontier energies (EHOMO & ELUMO) for the active candidates indicating the overall stability of the structure. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Formula: C6H6N4).
1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. However, triazoles are also useful in bioorthogonal chemistry, because the large number of nitrogen atoms causes triazoles to react similar to azides. Triazole growth retardants such as uniconazole and paclobutrazol have been known to inhibit the biosynthesis of gibberellins by blocking kaurene oxidase, an P450 enzymeFormula: C6H6N4
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics