Previously, we have identified β-alanine as a potential endogenous anticonvulsant molecule. β-Alanine occurs within the human central nervous system and has been identified as both an inhibitory neuromodulator and neurotransmitter that is bioavailable to brain after oral administration. During preliminary compounding trials to ascertain dosing strategies for β-alanine, we noted pronounced differences in the side effect profile experienced by individuals of Asian and Caucasian descent. To investigate whether ethnicity affects β-alanine-induced side effects, we administered 3 g of β-alanine in 200 mL of fruit drink to ten people of each ethnic background and observed them for 30 minutes. Data collected included basic physical statistics (height, age, and weight) and descriptions of all side effects, as reported by participants. We found that participants of Asian descent experienced paraesthesia, but significantly different in time of onset, intensity, and anatomical localization, as compared to the effects experienced by Caucasian participants. Since β-alanine is an endogenous neurotransmitter substance within human brain, these side effect differences were unexpected.
Quantitative structure-activity relationship (QSAR) studies constitute a process by which the physicochemical properties of a set of chemical structures are quantitatively correlated with a measurable, such as the concentration of a substance required to give a certain therapeutic drug response. 2D-QSAR studies start with 10-20 analogues, ranging from biologically active to inactive; each analogue, regardless of bioactivity, is described by a series of descriptors. To further broaden the practical utility of these simple descriptors we have sought to identify hybrid indices which are trivial to calculate but which capture data from at least two categories of descriptors. An electrotopological descriptor, termed ET Z , which combines electronic information and molecular topology, has been devised and validated against a set of 25 anticonvulsant hydantoin molecules. This ET Z is based solely on atomic connectivity information obtained from the graph without explicit input from molecular geometry.Keywords Quantitative structure-activity relationship study · Descriptors · Topological index · Electrotopological index · Computer-aided drug design Quantitative structure-activity relationship (QSAR) studies constitute a process by which the physicochemical properties of a defined set of chemical structures are
Drug design and discovery is an innovation process that translates the outcomes of fundamental biomedical research into therapeutics that are ultimately made available to people with medical disorders in many countries throughout the world. To identify which nations succeed, exceed, or fail at the drug design/discovery endeavor—more specifically, which countries, within the context of their national size and wealth, are “pulling their weight” when it comes to developing medications targeting the myriad of diseases that afflict humankind—we compiled and analyzed a comprehensive survey of all new drugs (small molecular entities and biologics) approved annually throughout the world over the 20‐year period from 1991 to 2010. Based upon this analysis, we have devised prediction algorithms to ascertain which countries are successful (or not) in contributing to the worldwide need for effective new therapeutics.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.