In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABAA
B Stošić, R Janković, M Stošić, D Marković… - … Biology and Chemistry, 2020 - Elsevier
The inhibition of GABA A can be used in general anesthesia. Although, barbiturates and
thiobarbiturates are used in anesthesia, the mechanism of their action hasn't been
established. QSAR modeling is a wieldy used technique in these cases and this study
presents the QSAR modeling for a group of barbiturates and thiobarbiturates with
determined anesthetic activity. Developed QSAR models were based on conformation
independent and 2D descriptors as well as field contribution. As descriptors used for …
thiobarbiturates are used in anesthesia, the mechanism of their action hasn't been
established. QSAR modeling is a wieldy used technique in these cases and this study
presents the QSAR modeling for a group of barbiturates and thiobarbiturates with
determined anesthetic activity. Developed QSAR models were based on conformation
independent and 2D descriptors as well as field contribution. As descriptors used for …
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