化学
齿合度
抗菌剂
螯合作用
氢键
质子核磁共振
锡
配体(生物化学)
对接(动物)
单晶
碳-13核磁共振
立体化学
结晶学
晶体结构
核化学
有机化学
分子
生物化学
医学
护理部
受体
作者
Niaz Muhammad,Naseer Ali Shah,Saqib Ali,Abdul Wadood,Mehreen Ghufran,Muhammad Rashid Khan,Pakiza Siddiq,Shaukat Shujah,Auke Meetsma
标识
DOI:10.1080/00958972.2018.1513131
摘要
Four new diorganotin(IV) carboxylates, [n-Bu2SnL2] (1), [Et2SnL2] (2), [Me2SnL2] (3) and [n-Oct2SnL2] (4), where L = 3-(4-chlorophenyl)-2-methylacrylate, were synthesized and characterized by elemental analysis, FT-IR, multinuclear NMR (1H, 13C, and 119Sn) and X-ray single crystal analysis for 1. A chelating bidentate ligand and six-coordinate tin centers were confirmed in the solid state by IR for all complexes and for 1 by X-ray single crystal analysis. The NMR study has shown a decrease in the coordination number of tin in solution. The complexes were screened for their in vitro antibacterial and antifungal activities. A compromised lipo/hydrophilicity and a diffusion controlled antimicrobial activity was shown by the complexes in the order 1 > 2>3 > 4. Molecular docking studies have shown hydrogen bonding and hydrophobic interactions for 1 with the target proteins of the antimicrobial strains.
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