Kawai, Junya; Ota, Masahiro; Ohki, Hitoshi; Toki, Tadashi; Suzuki, Makoto; Shimada, Takashi; Matsui, Satoshi; Inoue, Hidekazu; Sugihara, Chika; Matsuhashi, Norikazu; Matsui, Yumi; Takaishi, Sachiko; Nakayama, Kiyoshi published the artcile< Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is inhibitor isoenzyme selective SBDD tricyclic coumarin MTHFD2.
Methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) plays a key role in one-carbon (1C) metabolism in human mitochondria, and its high expression correlates with poor survival of patients with various types of cancer. An isoenzyme-selective MTHFD2 inhibitor is highly attractive for potential use in cancer treatment. Herein, we disclose a novel isoenzyme-selective MTHFD2 inhibitor DS44960156, with a tricyclic coumarin scaffold, which was initially discovered via high-throughput screening (HTS) and improved using structure-based drug design (SBDD). DS44960156 would offer a good starting point for further optimization based on the following features: (1) unprecedented selectivity (>18-fold) for MTHFD2 over MTHFD1, (2) a mol. weight of less than 400, and (3) good ligand efficiency (LE).
ACS Medicinal Chemistry Letters published new progress about Drug design (structure-based drug design). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics