Computed Properties of C13H13N. I found the field of Pharmacology & Pharmacy very interesting. Saw the article Optimizing Targeted Inhibitors of P-Glycoprotein Using Computational and Structure-Guided Approaches published in 2019, Reprint Addresses Wise, JG; Vogel, PD (corresponding author), Southern Methodist Univ, Dept Biol Sci, 6501 Airline Rd, Dallas, TX 75205 USA.; Wise, JG; Vogel, PD (corresponding author), Southern Methodist Univ, Ctr Drug Discovery Design & Delivery, 6501 Airline Rd, Dallas, TX 75205 USA.; Wise, JG; Vogel, PD (corresponding author), Southern Methodist Univ, Ctr Sci Computat, 6501 Airline Rd, Dallas, TX 75205 USA.. The CAS is 91-00-9. Through research, I have a further understanding and discovery of Diphenylmethanamine.
Overexpression of ABC transporters like P-glycoprotein (P-gp) has been correlated with resistances in cancer chemotherapy. Intensive efforts to identify P-gp inhibitors for use in combination therapy have not led to clinically approved inhibitors to date. Here, we describe computational approaches combined with structure-based design to improve the characteristics of a P-gp inhibitor previously identified by us. This hit compound represents a novel class of P-gp inhibitors that specifically targets and inhibits P-gp ATP hydrolysis while not being transported by the pump. We describe here a new program for virtual chemical synthesis and computational assessment, ChemGen, to produce hit compound variants with improved binding characteristics. The chemical syntheses of several variants, efficacy in reversing multidrug resistance in cell culture, and biochemical assessment of the inhibition mechanism are described. The usefulness of the computational predictions of binding characteristics of the inhibitor variants is discussed and compared to more traditional structure-based approaches.
Computed Properties of C13H13N. Welcome to talk about 91-00-9, If you have any questions, you can contact Wise, JG; Nanayakkara, AK; Aljowni, M; Chen, G; De Oliveira, MC; Ammerman, L; Olengue, K; Lippert, AR; Vogel, PD or send Email.
Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics