Design and Molecular Docking Studies of Some 2,3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG

被引:2
作者
Bhavesh, Amrute B. [1 ]
Rakesh, Amrutkar D. [2 ]
Santosh, Tambe R. [2 ]
机构
[1] MGVs Pharm Coll, Dept Pharmaceut Chem, Nasik, Maharashtra, India
[2] MGVs Samajshri Prashantdada Hiray Coll Pharm, Dept Pharmaceut Chem, Nasik, Maharashtra, India
关键词
Docking; dock score; conformer; protein; ligand; quinazolinone; SOLID-PHASE SYNTHESIS; BIOLOGICAL EVALUATION; EFFICIENT; REDUCTION; AGENTS;
D O I
10.2174/1573409915666190916100437
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
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.
引用
收藏
页码:402 / 406
页数:5
相关论文
共 43 条
[1]  
Alagarsamy V, 2003, BIOL PHARM BULL, V26, P557
[2]  
Alagarsamy V., 2003, J PHARM PHARMACOL, V58, P4
[3]   Novel series of 8H-quinazolino[4,3-b]quinazolin-8-ones via two Niementowski condensations [J].
Alexandre, FR ;
Berecibar, A ;
Wrigglesworth, R ;
Besson, T .
TETRAHEDRON, 2003, 59 (09) :1413-1419
[4]  
Amrutkar R. D., 2018, J COMPUT METHODS MOL, V8, P1
[5]  
[Anonymous], 2017, LIGPREP V2 1 2017 MO
[6]  
[Anonymous], 2017, MAESTR V8 0 2017 MOL
[7]  
[Anonymous], 2017, PROT PREP WIZ SCHROD
[8]  
[Anonymous], 2017, GLID 2017 VERS 4 5 S
[9]  
Arnold B., 1986, ALKALOIDS CHEM PHARM, P29
[10]  
BHALLA M, 1993, ARZNEIMITTEL-FORSCH, V43-1, P595