To fully exploit the therapeutic value and utilize the plant resources of the species in this genus, their pharmacophylogenetics and structure-activity relationship
should be further studied, more relevant compounds with interesting biological activities might be found.
The tyrosinase inhibitory potency of these compounds has been evaluated and attempts to justify their structure-activity relationships
have been made in the present work.
This is important because a QSAR model's ability to predict unknown chemicals depends largely on the nature of the training set and the algorithm used to establish the structure-activity relationship
(Eriksson et al.
A comparison of model performance for six quantitative structure-activity relationship
packages that predict acute toxicity to fish.
Food and Drug Administration (FDA) and Simulations Plus have signed a five-year research collaboration agreement (RCA) to work together to develop Quantitative Structure-Activity Relationship
(QSAR) toxicity models for FDA regulatory and research applications.
Part I: Structure-Based Design and Structure-Activity Relationship
Studies" and "Discovery of Piperidine-4-Carboxamides as Potent Chemokine Receptor CCR2b Antagonists.
These novel antagonist candidates have been created through our ongoing structure-activity relationship
studies of oligonucleotides, through which we have also identified agonists of TLR7, 8 and 9," said Sudhir Agrawal, D.
Chemical Diversity employs over 200 chemists and 400 employees worldwide and offers flexible integrated solutions in pre-clinical drug discovery, including target-directed libraries, follow-up Structure-Activity Relationship
programs, lead optimization services, computational chemistry and bioassays for hit identification.
study of piperidine derivatives for dopamine transporters (Prashant S.
President Robinett continued: "Despite the valuable insights obtained from in vitro ADME screening assays, in vivo drug exposure is still emphasized by drug discovery teams when making decisions about molecules within a Structure-Activity Relationship
(SAR), which explores the correlations between chemical structure and measured activity.
Under the agreement, Shamrock Structures will perform structure-activity relationship
(SAR) co-crystallization, synchrotron data collection, and structure determination of an Intra-Cellular Therapies protein target to which inhibitors are bound.
A structure-activity relationship
for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds.