[3LBA-011] Computational Screening of Fatty Acid Synthase Inhibitors Against Thioesterase Domain

Wanwisa Panman¹、Bodee Nutho²、Supakarn Chamni³、Supaporn Dokmaisrijun⁴、Nawee Kungwan⁵、〇Thanyada Rungrotmongkol^6,7 (1.Multidisciplinary Program of Petrochemistry and Polymer Science, Fac. of Sci., Chulalongkorn Univ., Bangkok 10330, Thailand、2.Program in Biotechnology, Fac. of Sci., Chulalongkorn Univ., Bangkok 10330, Thailand、3.Dept. of Pharmacognosy and Pharmaceutical Botany, Fac. of Pharma. Sci., Chulalongkorn Univ., Bangkok 10330, Thailand、4.Division of Chemistry, Sch. of Sci., Walailak Univ., Nakon Si Thammarat 80161, Thailand、5.Dept of Chem., Fac. of Sci., Chiang Mai Univ., Chiang Mai 50200, Thailand、6.Ph.D. Program in Bioinformatics and Computational Biology, Grad. Sch., Chulalongkorn Univ., Bangkok 10330, Thailand、7.Structural and Computational Biology Research Group, Dept. of Biochemistry, Fac of Sci., Chulalongkorn Univ., Bangkok 10330, Thailand)

Thioesterase、fatty acid synthase、anticancer、rosmarinic acid、QM/MM