Cyclic Diarylheptanoids from Wood of Garuga floribunda and In Silico Study of Their Potential as Antituberculosis Lia Dewi Juliawaty (a*), Dikhi Firmansyah (a), Aushofin Hamidah (a), Qolbu Nurul Hidayah (a), Denisa Shofihatul Qolby (a), Sri Rohaeni (a), Hendra Helmanto (b), Reza Aditama (c), Ernawati Arifin Giri-Rachman (d)
a)Organic Chemistry Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jalan Ganesha 10, Bandung, 40132, Indonesia.
b) Research Center for Plants Conservation Botanic Garden and Forestry, National Research Innovation Agency, Gedung Kusnoto, Jalan Ir. H. Juanda No.18, Bogor, 16122, Indonesia.
c)Biochemistry Research Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jalan Ganesha 10, Bandung, 40132, Indonesia.
d)Physiology, Developmental Biology and Biomedical Sciences Research Group, School of Life Sciences and Technology, Institut Teknologi Bandung, Jalan Ganesha 10, Bandung, 40132, Indonesia.
Abstract
Nowadays, tuberculosis cases with drug resistance are still quite high. One of the good antimicrobial candidates to treat the disease is cyclic diarylheptanoids. Two cyclic diarylheptanoid compounds were successfully isolated from the wood of Garuga floribunda identified as alnusdiol and alnusone. Alnusdiol is the major secondary metabolite, 196 mg of the compound was obtained from 2.3 kg powdered wood samples. Protection of alnusdiol with prenyl and benzyl groups gave singly protected phenol groups. The in silico study of those compounds targeting InhA, a protein reductase in Mycobacterium tuberculosis, has been conducted. Isoniazid is one of the most common drugs used to treat tuberculosis, showing a docking score of -5.9 kcal/mol. Among all, two compounds had the best potential as InhA inhibitors, i.e alnusone and benzylated alnusdiol which had docking scores -9.7 and -9.9 kcal/mol, respectively.
Keywords: tuberculosis, cyclic diarylheptanoid, Garuga floribunda, OH protection, in silico
