นโยบายงานวิจัย /จรรยาบรรณนักวิจัย /ระดับคุณภาพบทความวิจัยตีพิมพ์ /ระดับคุณภาพผลงานวิชาการ /แหล่งทุน /ดาวน์โหลด /ฐานข้อมูลวิจัย /วิเคราะห์-สังเคราะห์งานวิจัย /ลิขสิทธิ์ /ข่าว


STRUCTURAL INSIGHTS INTO THE BINDING MODE AND CRUCIAL INTERACTIONS OF 4-AMINIQUINOLONEPIPERIDINE AMIDE DERIVATIVES AGAINST DECAPRENYLPHOSPHORYL-D-RIBOSE OXIDASE BINDING SITE USING MOLECULAR DOCKING CALCULATION (poster and proceeding)


Author

-

Chayanin Hanwarinroj,1 Naruedon Phusi,1 Pharit Kamsri,2 Auradee Punkvang,2 Patchreenart Saparpakorn,3 Supa Hannongbua,3 Khomson Suttisintong,4 Nitima Suttipunta5  and Pornpan Pungpo1* 


Journal

- The 42nd Congress on Science and Technology of Thailand (STT 42)

Volume

- 42

Year

- 2016

Publication type

-

Page list

- 254-257

Abstract

   

The decaprenylphosphoryl-D-ribose oxidase (DprE1) of Mycobacterium tuberculosis has been identified as potential target for anti-tuberculosis drug development against drug resistant tuberculosis. 4-Aminoquinolone piperidine amides were discovered as DprE1 inhibitors with slow on rates and long residence times on the enzyme. To develop potent DprE1 inhibitors in a series of 4aminoquinolone piperidine amides, structure based drug design based on molecular docking calculations was applied to understand the crucial interactions of this inhibitors. The crucial interactions of highly active compounds were found that H-bond interaction between NH of aromatic ring with NH2 of Gln336 and C=O of side chain of C=O of five member ring and NH side chain of Leu317. Pi-pi interaction of aromatic ring with aromatic ring of FAD cofactor was found. The result can help for further design a novel anti-tuberculosis drug design.