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Showing 1 to 4 of 4 for “"CoMFA model"”.
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Ligand-based drug design : I. conformational studies of GBR 12909 analogs as cocaine antagonists; II. 3d-QSAR studies of salvinorin a analogs as kappa opioid agonists
… of cocaine abuse. As a first step in the 3D-QSAR modeling of the dopamine transporter (DAT)/serotonin transporter (SERT) selectivity of these compounds, conformational analysis of a piperazine and related piperidine analog of GBR12909 is performed. These analogs have eight rotatable bonds and are …
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Development of pharmacophore and comfa study of rigid and flexible sigma 2 receptor ligands
In the present study a pharmacophore and CoMFA model was derived for sigma 2 (62) receptors by using Sybyl 7.2 Software Package. The CoMFA studies used 22 bioactive molecules as a training set and 4 molecules as a test set for the o2 receptor ligands. The geometries and electrostatic charges of all …
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Urban design, climate + context: Exploring the interplay of thermal comfort and human perception in the case of Lahore, Pakistan.
… a holistic approach, a novel conceptual model is proposed, aligning direct and indirect factors. The proposed model, Man vs. Machine, is a two-pronged approach focusing on qualitative and quantitative parameters. This study deciphered the effects of weather parameters (e.g., air …
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Development of pharmacophore and CoMFA studies for sigma2 receptor ligands
… the development of a pharmacophore and CoMIFA model for sigma 2 ([sigma]_2) receptor ligands. CoMFA studies were performed for 32 bioactive [sigma]_2 receptor ligands using the radioligand [H 3] (+) DTG in the presence of pentazocine. The pharmacophore was derived using Distance Comparisons …