Pharmacophore-based structure optimization of anqiotensin convertinq enzyme inhibitory peptide
Chemical feature based pharmacophore models were generated for an angiotensin converting enzyme (ACE) inhibitory peptide using the Discovery Studio 2.0 pharmacophore modeling approach. The pharmacophore hypothesis selected has five features (one negative ionizable region, one hydrogen bond donor, one hydrogen bond acceptor and two hydrophobic functional groups). Additionally, ACE inhibitory hexapeptide previously obtained from silkworm pupae protein was optimized to target the ACE based on the selected pharmacophore. The results suggest that tri-peptide (thr-val-phe) may be structural determinant of ACE activity. Docking studies further provided confidence for the validity of the selected pharmacophore model to perform structure optimization of the ACE inhibitory peptide.
angiotensin converting enzyme inhibitory peptide pharmacophore model docking
WANG Wei SHEN Sheng ong FENG FengQin HE GuoQing WANG ZhanLi
Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310029, China Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310029, China Corresponding Technology Center, NeoTrident Technology Ltd., Beijing 100080, China Corresponding author Supported
国际会议
广州
英文
314-321
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）