Activity-difference maps and consensus similarity measure characterize structure-activity relationships

Activity-difference maps and consensus similarity measure characterize structure-activity relationships

Dual and triple activity-difference (DAD/TAD) maps are twoand threedimensional representations of the pairwise activity differences of compound data sets, respectively [1]. These maps are valuable tools for the systematic characterization of structure-activity relationships (SAR) of compounds data sets screened against two or three targets [2]. Adding pairwise structural similarity information ...

sas: a toolbox to represent the structure activity similarity maps for the synthesized compounds

Similarity Matrices Quantitative Structure–Activity Relationships for Anticonvulsant Phenylacetanilides

Structure-radical scavenging activity relationships of hydroxytoluene derivatives

Research works proposed that radical scavenging activity of flavonoids is due to ring B, andthe remaining part of the molecule can be disregarded. Thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid and toestablish structural requirements for their activity (as they showed appreciable activity) andelucidate a comprehensive me...

QnrS1 structure-activity relationships.

OBJECTIVES Loop B is important for low-level quinolone resistance conferred by Qnr proteins. The role of individual amino acids within QnrS1 loop B in quinolone resistance and gyrase protection was assessed. METHODS qnrS1 and 11 qnrS1 alleles with site-directed Ala mutations in loop B were expressed in Escherichia coli BL21(DE3) and proteins were purified by affinity chromatography. Ciproflox...