34th IUPAP Conference on Computational Physics(CCP2023)

講演情報

Poster

Poster

Poster 2

2023年8月7日(月) 16:00 〜 18:00 Reception Hall (3F)

[PS2-86] Insight into specific interactions of Pyrrolamide Derivatives as highly potential potent GyrB inhibitors using fragment molecular orbital (FMO) calculations

*Paptawan - Thongdee1, Bongkochawan - Pakamwong1, Bundit - Kamsri1, Naruedon - Phusi1, Jidapa - Sangswan2, Pharit - Kamsri3, Auradee - Punkvang3, Khomson - Suttisintong4, Kyohei - Imai5, Noriyuki - Kurita5, Pornpan - Pungpo1 (1. Department of Chemistry, Ubon Ratchathani Univ. (Thailand), 2. Department of Biological Science, Ubon Ratchathani Univ. (Thailand), 3. Division of Chemistry, Nakhon Phanom Univ. (Thailand), 4. National Nanotechnology Center, NSTDA (Thailand), 5. Department of Computer Science and Engineering, TUT (Japan))

キーワード:Fragment molecular orbital (FMO) calculations, Pyrrolamide Derivatives , DNA gyrase subunit B (GyrB), Tuberculosis

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