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.
목차
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
키워드
Docking scoresReceptor-based approachpOBP (1HQP) and PBP (1GM6)Potent pig pheromonal odorantsQSPR