Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was written by Woolford, Alison J.-A.;Day, Philip J.;Beneton, Veronique;Berdini, Valerio;Coyle, Joseph E.;Dudit, Yann;Grondin, Pascal;Huet, Pascal;Lee, Lydia Y. W.;Manas, Eric S.;McMenamin, Rachel L.;Murray, Christopher W.;Page, Lee W.;Patel, Vipulkumar K.;Potvain, Florent;Rich, Sharna J.;Sang, Yingxia;Somers, Don O.;Trottet, Lionel;Wan, Zehong;Zhang, Xiaomin. And the article was included in Journal of Medicinal Chemistry in 2016.Computed Properties of C14H17NO3 This article mentions the following:
Lp-PLA2 has been explored as a target for a number of inflammation associated diseases, including cardiovascular disease and dementia. This article describes the discovery of a new fragment derived chemotype that interacts with the active site of Lp-PLA2. The starting fragment hit was discovered through an x-ray fragment screen and showed no activity in the bioassay (IC50 > 1 mM). The fragment hit was optimized using a variety of structure-based drug design techniques, including virtual screening, fragment merging, and improvement of shape complementarity. A novel series of Lp-PLA2 inhibitors was generated with low lipophilicity and a promising pharmacokinetic profile. In the experiment, the researchers used many compounds, for example, Benzyl 4-formylpiperidine-1-carboxylate (cas: 138163-08-3Computed Properties of C14H17NO3).
Benzyl 4-formylpiperidine-1-carboxylate (cas: 138163-08-3) belongs to piperidine derivatives. Piperidine has a role as a reagent, a protic solvent, a base, a catalyst, a plant metabolite, a human metabolite and a non-polar solvent. Piperidine derivatives are being utilized in different ways as anticancer, antiviral, antimalarial, antimicrobial, antifungal, antihypertension, analgesic, anti-inflammatory, anti-Alzheimer, antipsychotic and/or anticoagulant agents.Computed Properties of C14H17NO3
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem