To search the potent pig pheromonal odorants through receptor-based approach methods, molecular dockings between 680 Flavornets as substrate molecule and pig odorants binding proteins OBP (1HQP) and PBP (1GM6) as receptor, and QSPR (quantitative structure-property relationship) analyses from physico-chemical parameters of Flavornets and their docking scores (DS) were performed and discussed quantitatively. From the basis on the findings, the optimal value (MSA)opt.=407.595 Å2 of MSA (molecular surface area; Å), and RB (number of rotational bond) had the Flavornets will be able to increase DS. Therefore, it is expected that the stearyl alcohol from DS and H-bond type between substrate and receptor would be shows the character as potent pig pheromonal odorant.

ABSTRACT   서론   재료 및 방법    물리-화학 파라미터의 계산    반응포켓에 대한 도킹    도킹전 수용체의 조정    QSPR 모델의 유도   결과    물리-화학 파라미터    냄새분자의 도킹    수소결합의 확인   고찰    OBP 도킹시 요인    분자의 도킹 스코어    수용체내 수소결합   인용문헌

• 주성모(충남대학교 농업생명과학대학 응용생물환경화학과) | Sung-Mo Joo
• 조윤기(충남대학교 농업생명과학대학 응용생물환경화학과) | Yun-Gi Cho
• 박창식(충남대학교 형질전환복제돼지연구센터) | Chang-Sik Park
• 성낙도(충남대학교 농업생명과학대학 응용생물환경화학과) | Nack-Do Sung Corresponding author