Seminar

Seminar

Chemistry-oriented synthesis of drug scaffolds and chemo-centric target profiling of the scaffolds

  • POSTED DATE : 2018-05-04
  • WRITER : 관리자
  • HIT : 3650
  • DATE : 2018-05-10
  • PLACE : 화학관 서병인강의실 (330226호)

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제  목 : Chemistry-oriented synthesis of drug scaffolds and chemo-centric target profiling of the scaffolds


연  사 : 김미현 교수님(가천대학교 약학과)

일  시 : 2018년 5월 10일(목) 오후 4시 30분
장  소 : 화학관 2층 세미나실(330226호실)

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Chemistry-oriented synthesis of drug scaffolds and chemo-centric target profiling of the scaffolds


 Arramshetti Venkanna, Zakir Ullah, Sualiha Afzal, Kang Kim, andMi-hyun Kim*

Department of Pharmacy, College of Pharmacy, Gachon University, Hambakmoeiro 191, Yeonsu-gu, Incheon, Republic of Korea


Can researchers simultaneously consider academic interest and the integrated platform of ‘from bench to market, and from market to bench’ during their drug R&D process? For the purpose, which type of factors need to be considered? Among current feasible factors, chemists in drug R&D can choose structural novelty of drug for IP transfer. In the contrast to the factor, current dominant strategy of drug discovery is rational drug design against a determined novel target (disease, MOA, pathway, or protein) and the strategy can exclude structural novel compounds due to weak activity towards the target. However, regardless of the main strategy, chemists can wonder how to maximize the utility of their new compounds as like drug repositioning of a clinical drug in drug discovery. In my study, the drug discovery ‘from curiosity in chemical structure, itself of drug scaffold’ rather than ‘from a specific target’ was considered. As an example, synthetic methodology of a novel drug scaffold, anomeric N,N-diarylamino tetrahydropyran was developed through C(sp3)-H functionalized  cross-dehydrogenative coupling of aminoalochol under non-metal condition (TEMPO/iodine, TEMPO/ trivalent iodine) with the mechanistic explanation. In sequence, to investigate the utility of the new scaffold, 2D & 3D similarity screening and chemo-centric molecular target prediction were conducted to propose plausible target profiling. The selected list of predicted target proteins was proved by the experimental assay. As another example, asymmetric catalyzed dearomatization will be added with closed information.