Currently, there is no approved drug to combat dengue. Various quinoline derivatives are known for potential antimalarial, antiviral activities, etc. In the present work docking between 4-Amino-7-Chloroquinoline analogs was performed with dengue virus NS2B/NS3 protease using CB dock, a web server. Lys74, Ile165, Val147, Asn152, Asn167, Trp83 and Leu149 amino acid residues were found to be in contact with designed 4-Amino-7-Chloroquinoline analogs. Different modes of binding like hydrogen bonding, hydrophobic interactions, etc with designed compounds improve potential anti-dengue characteristics in silico. ADME results are in acceptable range.

中文翻译：

---

使用 CB Dock 网络服务器盲对接 4-Amino-7-Chloroquinoline 类似物作为潜在的登革热病毒蛋白酶抑制剂

目前，没有批准的药物可以对抗登革热。已知各种喹啉衍生物具有潜在的抗疟、抗病毒活性等。在目前的工作中，4-Amino-7-Chloroquinoline 类似物之间的对接是使用网络服务器 CB dock 与登革热病毒 NS2B/NS3 蛋白酶进行的。Lys74、Ile165、Val147、Asn152、Asn167、Trp83 和 Leu149 氨基酸残基被发现与设计的 4-Amino-7-Chloroquinoline 类似物接触。与设计化合物的不同结合模式，如氢键、疏水相互作用等，提高了计算机中潜在的抗登革热特性。ADME 结果在可接受的范围内。