Nonnucleoside reverse transcriptase inhibitors (NNRTIs) remain the most promising anti-AIDS agents that target the HIV-1 reverse transcriptase enzyme (RT). However, the efficiency of approved NNRTI drugs has decreased by the appearance of drug-resistant viruses and side effects upon long-term usage. Thus, there is an urgent need for developing new, potent NNRTIs with broad spectrum against HIV-1 virus and with improved properties. In this study, a series of thiazolidinone derivatives was designed based on a butterfly mimicking scaffold consisting of a substituted benzothiazolyl moiety connected with a substituted phenyl ring via a thiazolidinone moiety. The most promising derivatives were selected using molecular docking analysis and PASS prediction program, synthesized and evaluated for HIV-1 RT inhibition. Five out of fifteen tested compounds exhibited good inhibitory action. It was observed that the presence of Cl or CN substituents at the position 6 of the benzothiazole ring in combination with two fluoro atoms at the ortho-positions or a hydrogen acceptor substituent at the 4-position of the phenyl ring are favourable for the HIV RT inhibitory activity.

非核苷逆转录酶抑制剂（NNRTIs）仍然是针对HIV-1逆转录酶（RT）的最有希望的抗艾滋病药物。但是，已批准的NNRTI药物的效率由于耐药病毒的出现和长期使用的副作用而降低。因此，迫切需要开发新的有效的NNRTIs，其具有针对HIV-1病毒的广谱性并具有改善的特性。在这项研究中，基于模仿蝴蝶的支架设计了一系列噻唑烷酮衍生物，该支架由取代的苯并噻唑基部分与噻吩并酮基部分通过取代的苯环连接而成。使用分子对接分析和PASS预测程序选择了最有前途的衍生物，合成并评估了其对HIV-1 RT的抑制作用。15种测试化合物中有5种表现出良好的抑制作用。观察到在苯并噻唑环的6位上存在Cl或CN取代基，在苯环的邻位上具有两个氟原子或在苯环的4位上具有氢受体取代基，这对HIV RT是有利的。抑制活性。