I found the field of Biochemistry & Molecular Biology very interesting. Saw the article Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins published in 2019.0. Computed Properties of C2H4N4, Reprint Addresses Kapoor, TM (corresponding author), Rockefeller Univ, Lab Chem & Cell Biol, New York, NY 10065 USA.. The CAS is 61-82-5. Through research, I have a further understanding and discovery of 1H-1,2,4-Triazol-5-amine
Drug-like inhibitors are often designed by mimicking cofactor or substrate interactions with enzymes. However, as active sites are comprised of conserved residues, it is difficult to identify the critical interactions needed to design selective inhibitors. We are developing an approach, named RADD (resistance analysis during design), which involves engineering point mutations in the target to generate active alleles and testing compounds against them. Mutations that alter compound potency identify residues that make key interactions with the inhibitor and predict target-binding poses. Here, we apply this approach to analyze how diaminotriazole-based inhibitors bind spastin, a microtubule-severing AAA (ATPase associated with diverse cellular activities) protein. The distinct binding poses predicted for two similar inhibitors were confirmed by a series of X-ray structures. Importantly, our approach not only reveals how selective inhibition of the target can be achieved but also identifies resistance-conferring mutations at the early stages of the design process.
Computed Properties of C2H4N4. About 1H-1,2,4-Triazol-5-amine, If you have any questions, you can contact Pisa, R; Cupido, T; Steinman, JB; Jones, NH; Kapoor, TM or concate me.
Reference:
Article; Safari, Niloufar; Shirini, Farhad; Tajik, Hassan; Journal of Molecular Structure; vol. 1201; (2020);,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics