CoMSIA

The GRID program [44] has been used by a number of workers as an alternative to the original CoMFA method for calculating interaction fields. An advantage of the GRID approach, apart from the large number of chemical probes 

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CoMSIA (comparative molecular similarity index analysis) is a recent development from CoMFA and does not suffer from the alignment problem. It has been used to model hERG potassium channel inhibition by drugs [59] and the toxicity of phenylsulfonyl carboxylates [60], organophosphates [61], and polybrominated diphenyl ethers [62], with results comparable to those from CoMFA. 

Pearlstein RA, Vaz Rl, Kang J, Chen X-L, Preobrazhenskaya M, Shchekotikhin AE et al. Characterisation of HERG Potassium channel inhibition using COMSiA 3D QSAR and homology modeling approaches. Bioorg Med Chem Lett 2003 13 1829-35. 

CoMSIA Comparative molecular similarity index analysis... 

Klebe, G., Abraham, U., Mietzner, T. Molecular similarity in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity./. Med. Chem. 1994, 37, 4130-4146. 

Klebe, G. (1998). Comparative Molecular Similarity Indices CoMSIA In 3D QSAR in Drug Design.., H. Kubinyi, G. Folkers, and Y.C. Martin (eds). Kluwer Academic Publishers, London, UK. 3 87. 

Comparative Molecular Field Analysis (CoMFA), 6 16 16 755-757 pharmacophore generation and validation, 6 12 Comparative Molecular Shape Indexes Analysis (CoMSIA), J0 327t,... 

Computing properties, defined, 76 729-730 CoMSIA, pharmacophore generation and validation, 6 12 Concavalin A (Con A), 9 66-67 Concave receptor, 76 774 Concentrate, defined, 76 127 Concentration... 

CoMFA/ CoMSIA Studies on Peripherally Acting CB1 Receptor Antagonists as Anti-Obesity Agents... 

Lysenkova, L.N., Miroshnikova, O.V., Hendrix, J., and Rampe, D. Characterization of H ERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches. Bioorg. Med. Chem. Lett. 2003, 13, 1829-1835. 

On the basis of CoMFA and CoMSIA analysis, three conformation-ally restricted selective D3 ligands were successfully constructed and synthesized. One of them is rfs-7H,9flH-7- 2-(2-benzo[fc]thienyl)carbo-nylamino]ethyl -2-(2,3-dichlorophenyl)perhydropyrido[l,2-fl]pyrazine (06BMC5898). 

CoMSIA comparative molecular similarity indices analysis... 

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