3D QSAR studies on T-type calcium channel blockers using CoMFA and CoMSIA

Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on a series of isoxazolyl compounds as a potent T-type calcium channel blockers. A set of 24 structurally similar compounds served to establish the model. Four different conform...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 2004-04, Vol.12 (7), p.1613-1621
Hauptverfasser:	Doddareddy, Munikumar Reddy, Jung, Hee Kyung, Cha, Joo Hwan, Cho, Yong Seo, Koh, Hun Yeong, Chang, Moon Ho, Pae, Ae Nim
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological and medical sciences Calcium Channel Blockers - chemistry Calcium Channels, T-Type - chemistry Drug Design Medical sciences Models, Chemical Models, Molecular Molecular Conformation Neuropharmacology Neurotransmitters. Neurotransmission. Receptors Peptidergic system (neuropeptide, opioid peptide, opiates...). Adenosinergic and purinergic systems Pharmacology. Drug treatments Predictive Value of Tests Quantitative Structure-Activity Relationship Reproducibility of Results
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