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监管与产业情报(Pharma-Intel)· Pakistan journal of pharmaceutical sciences·· 1 天前评分30

[W4KR5]-姜黄素环肽偶联物作为潜在抗炎镇痛候选的整合计算模拟与体内外评价

Integrative in-silico, in-vitro and in-vivo assessment of [W(4)KR(5)]-curcumin conjugates as potential anti-inflammatory and antinociceptive therapeutics

导读

[W4KR5]-12-oxododecanoate-curcumin在三种环肽-姜黄素偶联物中抗炎镇痛活性最强,对COX-2结合能为-11.4 kcal/mol(姜黄素仅-7.8 kcal/mol),IC50为0.82 µM且对COX-1具高选择性(COX-1 IC50为4.65 µM)。

来源:监管与产业情报(Pharma-Intel) · doi.org