Background: In this present investigation, some 2, 3 disubstituted-quinazolin-4-one derivatives are designed and docked against chain A and chain B of (3WDF) receptor.

Methods: The heterocyclic fused rings quinazolinone have drawn a great attention owing to their expanded applications in the field of pharmaceutical chemistry. The diverse range of molecules with quinazoline/quinazolinone moieties have been reported to exhibit a broad spectrum of biological activities.

Results: The results designate that the quinazolinone ring forms hydrophobic and hydrogen bond contacts with ASN 127 A, ALA 126 A, and SER 83 B, SER 183 B amino acid residue.

Conclusion: Molecular docking is safe and straightforward to use tool which facilitates in investigating, interpreting, enplaning and identification of molecular properties using 3D structures.

背景：在本研究中，设计了约2、3个二取代的喹唑啉-4-酮衍生物，并与（3WDF）受体的链A和链B对接。

方法：杂环稠合环喹唑啉酮由于在药物化学领域的广泛应用而备受关注。据报道，具有喹唑啉/喹唑啉酮基团的分子种类繁多，具有广泛的生物活性。

结果：结果表明，喹唑啉酮环与ASN 127 A，ALA 126 A和SER 83 B，SER 183 B氨基酸残基形成疏水和氢键接触。

结论：分子对接是一种安全，简单易用的工具，它有助于使用3D结构研究，解释，规划和鉴定分子特性。