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

Parvez Ali; Syed Ajaz K Kirmani; Osamah Al Rugaie; Faizul Azam

doi:10.1016/j.jsps.2020.07.010

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

Saudi Pharm J. 2020 Sep;28(9):1093-1100. doi: 10.1016/j.jsps.2020.07.010. Epub 2020 Aug 3.

Authors

Parvez Ali¹, Syed Ajaz K Kirmani², Osamah Al Rugaie³, Faizul Azam⁴

Affiliations

¹ Department of Mechanical Engineering, College of Engineering, Qassim University, Unaizah, Saudi Arabia.
² Department of Electrical Engineering, College of Engineering, Qassim University, Unaizah, Saudi Arabia.
³ Department of Basic Medical Sciences, Unaizah College of Medicine and Medical Sciences, Qassim University, Unaizah, P.O. Box 991, AlQassim 51911, Saudi Arabia.
⁴ Department of Pharmaceutical Chemistry & Pharmacognosy, Unaizah College of Pharmacy, Qassim University, Saudi Arabia.

Abstract

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, ${ISI}_{(α, β)}$ 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 ${ISI}_{(α, β)}$ . We also proposed general inverse sum indeg polynomial ${ISI}_{(α, β)} (G_{n}, x)$ of Hyaluronic acid-curcumin conjugates from which many well-known polynomials are deduced.

Keywords: Curcumin; Degree-based topological indices; Hyaluronic acid; Hyaluronic acid-curcumin conjugates; Polynomials.