Masunari, Andrea published the artcileGeneration and analysis of interaction energy maps of p-substituted benzoic acid N’-(5-nitrothiophen-2-yl)methylenehydrazides active against multidrug-resistant Staphylococcus aureus, Category: iodides-buliding-blocks, the publication is Anti-Infective Agents in Medicinal Chemistry (2010), 9(1), 1-8, database is CAplus.
Studies in 3D mol. fields generally contain a large amount of data, some of which are redundant or not relevant. The program Volsurf, a quite fast method, is able to compress the relevant information present in 3D mol. structures into a few descriptors that represent the physicochem. properties. In this study eighteen p-substituted benzoic acid N’-(5-nitrothiophen-2-yl)methylenehydrazides with antimicrobial activity were evaluated against multidrug-resistant Staphylococcus aureus, correlating the three-dimensional characteristics of the ligands with their resp. bioactivities. Structures were obtained by CORINA program, and using a GRID force field, the following probes have been used to generate their corresponding 3D interaction energies (MIFs): water, DRY, carbonyl oxygen atom and amide NH group. Calculations using Volsurf resulted in a statistically consistent model with 48 structural descriptors showing that hydrophobicity is a fundamental property in the analyzed biol. response. Results have shown the potential of studied compounds as alternatives to the treatment of infections caused by multidrug-resistant Staphylococcus aureus.
Anti-Infective Agents in Medicinal Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Category: iodides-buliding-blocks.
Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com