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Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates

Quantitative structure–activity relationship (QSAR) represents quantitative correlation of chemical structural features called as molecular descriptors and pharmacological activity as response endpoints. Topological index is a molecular descriptor extensively used to study QSAR of pharmaceuticals to...

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Detalles Bibliográficos
Autores principales: Ali, Parvez, Kirmani, Syed Ajaz K., Al Rugaie, Osamah, Azam, Faizul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7474180/
https://www.ncbi.nlm.nih.gov/pubmed/32922140
http://dx.doi.org/10.1016/j.jsps.2020.07.010
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author Ali, Parvez
Kirmani, Syed Ajaz K.
Al Rugaie, Osamah
Azam, Faizul
author_facet Ali, Parvez
Kirmani, Syed Ajaz K.
Al Rugaie, Osamah
Azam, Faizul
author_sort Ali, Parvez
collection PubMed
description Quantitative structure–activity relationship (QSAR) represents quantitative correlation of chemical structural features called as molecular descriptors and pharmacological activity as response endpoints. Topological index is a molecular descriptor extensively used to study QSAR of pharmaceuticals to assess their molecular characteristics by numerical computation. Theoretical assessment of drug like molecules helps to expedite the drug design and discovery process by rationalizing the lead identification, lead optimization and understanding their mechanism of actions. Therefore, in this article, we have computed the general inverse sum indeg index, [Formula: see text] of Hyaluronic acid-curcumin conjugates by using molecular structure analysis and edge partitioning technique. Many standard topological indices are obtained as a special case of [Formula: see text]. We also proposed general inverse sum indeg polynomial [Formula: see text] of Hyaluronic acid-curcumin conjugates from which many well-known polynomials are deduced.
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spelling pubmed-74741802020-09-11 Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates Ali, Parvez Kirmani, Syed Ajaz K. Al Rugaie, Osamah Azam, Faizul Saudi Pharm J Article Quantitative structure–activity relationship (QSAR) represents quantitative correlation of chemical structural features called as molecular descriptors and pharmacological activity as response endpoints. Topological index is a molecular descriptor extensively used to study QSAR of pharmaceuticals to assess their molecular characteristics by numerical computation. Theoretical assessment of drug like molecules helps to expedite the drug design and discovery process by rationalizing the lead identification, lead optimization and understanding their mechanism of actions. Therefore, in this article, we have computed the general inverse sum indeg index, [Formula: see text] of Hyaluronic acid-curcumin conjugates by using molecular structure analysis and edge partitioning technique. Many standard topological indices are obtained as a special case of [Formula: see text]. We also proposed general inverse sum indeg polynomial [Formula: see text] of Hyaluronic acid-curcumin conjugates from which many well-known polynomials are deduced. Elsevier 2020-09 2020-08-03 /pmc/articles/PMC7474180/ /pubmed/32922140 http://dx.doi.org/10.1016/j.jsps.2020.07.010 Text en © 2020 The Author(s) http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Ali, Parvez
Kirmani, Syed Ajaz K.
Al Rugaie, Osamah
Azam, Faizul
Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title_full Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title_fullStr Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title_full_unstemmed Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title_short Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
title_sort degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7474180/
https://www.ncbi.nlm.nih.gov/pubmed/32922140
http://dx.doi.org/10.1016/j.jsps.2020.07.010
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