CoM-polynomial and topological coindices of hyaluronic acid conjugates

The molecular structure of corresponding drugs can be examined using a graph theory tool called topological index to learn about their physicochemical and biological properties. Topological index considers the pair of vertices that are connected while topological coindex takes into account the pairs...

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Bibliographic Details
Published in:Arabian journal of chemistry 2022-07, Vol.15 (7), p.103911, Article 103911
Main Authors: Kirmani, Syed Ajaz K., Ali, Parvez
Format: Article
Language:English
Subjects:
CoM-polynomial
Hyaluronic acid-curcumin conjugate
Hyaluronic acid-methotrexate
Hyaluronic acid-paclitaxel conjugate
Topological coindices
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Summary:The molecular structure of corresponding drugs can be examined using a graph theory tool called topological index to learn about their physicochemical and biological properties. Topological index considers the pair of vertices that are connected while topological coindex takes into account the pairs of vertices that are not connected. Many of these topological indices can be readily calculated using various polynomial available in literature. We employ the concept of CoM-polynomial in this study and analyze the structure of hyaluronic acid conjugated with curcumin, paclitaxel, and methotrexate to acquire it. Many conventional topological coincides such as 1st Zagreb coindex, 2nd Zagreb coindex, 2nd modified Zagreb coindex, redefined 3rd Zagreb coindex, forgotten topological coindex, Randić coindex etc. are also generated for these drugs.
ISSN:1878-5352
1878-5379
DOI:10.1016/j.arabjc.2022.103911