New thienopyrimidinone and triazolothienopyrimidinone derivatives have been synthesized. These compounds were subjected to anti-inflammatory and antimicrobial activity screening aiming to identify new candidates that have dual anti-inflammatory and antimicrobial activities.

Compounds 5, 7 and 10a showed minimal ulcerogenic effect and high selectivity towards human recombinant COX-2 over COX-1 enzyme. Their docking outcome correlated with their biological activity and assured the high selectivity binding towards COX-2. In addition, they could act safely up to 80 mg/kg orally or 40 mg/kg parentrally. The antimicrobial screening showed that compound 10a displayed distinctive inhibitory effect on the growth of Escherichia coli comparable to that of ampicillin. Moreover, compounds 5, 7, 9 and 12a possessed 50% of the inhibitory activity of ampicillin against E. coli. Thus, compounds 5, 7 and 10a represent promising dual acting anti-inflammatory and antimicrobial agents. This work provides rewarding template enriching the chemical space for dual anti-inflammatory anti-microbial activities.

已经合成了新的噻吩并嘧啶酮和三唑并噻吩并嘧啶酮衍生物。对这些化合物进行了抗炎和抗微生物活性筛选，旨在鉴定具有双重抗炎和抗微生物活性的新候选药物。

化合物5，7和10A显示出超过COX-1酶的最小致溃疡效果和对人的重组COX-2选择性高。它们的对接结果与其生物学活性相关，并确保了对COX-2的高选择性结合。此外，它们可以安全地以最高80 mg / kg的口服剂量或40 mg / kg的肠胃外作用。抗菌筛选显示，与氨苄青霉素相比，化合物10a对大肠杆菌的生长表现出独特的抑制作用。此外，化合物5，7，9和12a中具有针对氨苄青霉素的抑制活性的50％的大肠杆菌。因此，化合物5，7和图10A表示有前途的双重作用的抗炎和抗微生物剂。这项工作提供了有益的模板，丰富了双重消炎抗微生物活性的化学空间。