A database for the predicted pharmacophoric features of medicinal compounds

Pharmacophore feature is defined by a set of chemical structure patterns having the active site of drug like molecule. Pharmacophore can be used to assist in building hypothesis about desirable chemical properties in drug molecule and hence it can be used to refine and modify drug candidates. We pre...

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Detalles Bibliográficos
Autores principales: Daisy, Pitchai, Singh, Sanjeev Kumar, Vijayalakshmi, Periyasamy, Selvaraj, Chandrabose, Rajalakshmi, Manikkam, Suveena, Sukumaran
Formato: Texto
Lenguaje:English
Publicado: Biomedical Informatics 2011
Materias:
Database
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3092953/
https://www.ncbi.nlm.nih.gov/pubmed/21572886
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author Daisy, Pitchai
Singh, Sanjeev Kumar
Vijayalakshmi, Periyasamy
Selvaraj, Chandrabose
Rajalakshmi, Manikkam
Suveena, Sukumaran
author_facet Daisy, Pitchai
Singh, Sanjeev Kumar
Vijayalakshmi, Periyasamy
Selvaraj, Chandrabose
Rajalakshmi, Manikkam
Suveena, Sukumaran
author_sort Daisy, Pitchai
collection PubMed
description Pharmacophore feature is defined by a set of chemical structure patterns having the active site of drug like molecule. Pharmacophore can be used to assist in building hypothesis about desirable chemical properties in drug molecule and hence it can be used to refine and modify drug candidates. We predicted the pharmacophoric features of 150 medicinal compounds from plants for anti-cancer, anti-carcinogenic, anti-diabetic, anti-microbial, and anti-oxidant. Estimation of pharmacophoric feature is necessary to ensure the optimal supramolecular interaction with a biological target and to trigger or block its biological response. We subsequently make this data available to open access using a database at the URL: http://www.hccbif.info/index.htm AVAILABILITY: The database is available for free at http://www.hccbif.info/index.htm
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spelling pubmed-30929532011-05-13 A database for the predicted pharmacophoric features of medicinal compounds Daisy, Pitchai Singh, Sanjeev Kumar Vijayalakshmi, Periyasamy Selvaraj, Chandrabose Rajalakshmi, Manikkam Suveena, Sukumaran Bioinformation Database Pharmacophore feature is defined by a set of chemical structure patterns having the active site of drug like molecule. Pharmacophore can be used to assist in building hypothesis about desirable chemical properties in drug molecule and hence it can be used to refine and modify drug candidates. We predicted the pharmacophoric features of 150 medicinal compounds from plants for anti-cancer, anti-carcinogenic, anti-diabetic, anti-microbial, and anti-oxidant. Estimation of pharmacophoric feature is necessary to ensure the optimal supramolecular interaction with a biological target and to trigger or block its biological response. We subsequently make this data available to open access using a database at the URL: http://www.hccbif.info/index.htm AVAILABILITY: The database is available for free at http://www.hccbif.info/index.htm Biomedical Informatics 2011-05-07 /pmc/articles/PMC3092953/ /pubmed/21572886 Text en © 2011 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Database
Daisy, Pitchai
Singh, Sanjeev Kumar
Vijayalakshmi, Periyasamy
Selvaraj, Chandrabose
Rajalakshmi, Manikkam
Suveena, Sukumaran
A database for the predicted pharmacophoric features of medicinal compounds
title A database for the predicted pharmacophoric features of medicinal compounds
title_full A database for the predicted pharmacophoric features of medicinal compounds
title_fullStr A database for the predicted pharmacophoric features of medicinal compounds
title_full_unstemmed A database for the predicted pharmacophoric features of medicinal compounds
title_short A database for the predicted pharmacophoric features of medicinal compounds
title_sort database for the predicted pharmacophoric features of medicinal compounds
topic Database
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3092953/
https://www.ncbi.nlm.nih.gov/pubmed/21572886
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