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

被引:42
作者
Ali, Parvez [1 ]
Kirmani, Syed Ajaz K. [2 ]
Rugaie, Osamah Al [3 ]
Azam, Faizul [4 ]
机构
[1] Qassim Univ, Dept Mech Engn, Coll Engn, Unaizah, Saudi Arabia
[2] Qassim Univ, Dept Elect Engn, Coll Engn, Unaizah, Saudi Arabia
[3] Qassim Univ, Unaizah Coll Med & Med Sci, Dept Basic Med Sci, POB 991, Unaizah 51911, Alqassim, Saudi Arabia
[4] Qassim Univ, Unaizah Coll Pharm, Dept Pharmaceut Chem & Pharmacognosy, Unaizah, Saudi Arabia
关键词
Degree-based topological indices; Polynomials; Hyaluronic acid; Curcumin; Hyaluronic acid-curcumin conjugates; SELF-ASSEMBLED MICELLES; STRUCTURE-BASED DESIGN; DRUG-DELIVERY; MOLECULAR-STRUCTURES; AQUEOUS SOLUBILITY; CONNECTIVITY INDEX; ZAGREB POLYNOMIALS; GRAPH-THEORY; DERIVATIVES;
D O I
10.1016/j.jsps.2020.07.010
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
Quantitative structure-activity relationship (QSAR) represents quantitative correlation of chemical struc-tural 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(alpha,beta) 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(alpha,beta). We also proposed general inverse sum indeg polynomial ISI(alpha,beta)(G(n), x) of Hyaluronic acid-curcumin conjugates from which many well-known polynomials are deduced. (C) 2020 The Author(s). Published by Elsevier B.V. on behalf of King Saud University.
引用
收藏
页码:1093 / 1100
页数:8
相关论文
共 70 条
[1]  
Ahmadian E., 2019, DRUG RES STUTTG
[2]   Structure-based design, synthesis, molecular docking, and biological activities of 2-(3-benzoylphenyl) propanoic acid derivatives as dual mechanism drugs [J].
Ahmed, Musa A. ;
Azam, Faizul ;
Rghigh, Abir M. ;
Gbaj, Abdul ;
Zetrini, Abdulmottaleb E. .
JOURNAL OF PHARMACY AND BIOALLIED SCIENCES, 2012, 4 (01) :43-50
[3]   Comparison of pharmaceutical nanoformulations for curcumin: Enhancement of aqueous solubility and carrier retention [J].
Allijn, Iris E. ;
Schiffelers, Raymond M. ;
Storm, Gert .
INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2016, 506 (1-2) :407-413
[4]   Topological Indices and Their Applications to Circumcised Donut Benzenoid Systems, Kekulenes and Drugs [J].
Arockiaraj, Micheal ;
Clement, Joseph ;
Balasubramanian, Krishnan .
POLYCYCLIC AROMATIC COMPOUNDS, 2020, 40 (02) :280-303
[5]   Curcumin in cancer therapy: A novel adjunct for combination chemotherapy with paclitaxel and alleviation of its adverse effects [J].
Ashrafizadeh, Milad ;
Zarrabi, Ali ;
Hashemi, Farid ;
Moghadam, Ebrahim Rahmani ;
Hashemi, Fardin ;
Entezari, Maliheh ;
Hushmandi, Kiavash ;
Mohammadinejad, Reza ;
Najafi, Masoud .
LIFE SCIENCES, 2020, 256
[6]  
Azam F, 2017, NEUROPROTECTIVE EFFE, DOI [10.1002/9781119155195.ch7, DOI 10.1002/9781119155195.CH7]
[7]   Molecular interaction studies of green tea catechins as multitarget drug candidates for the treatment of Parkinson's disease: computational and structural insights [J].
Azam, Faizul ;
Mohamed, Najah ;
Alhussen, Fatma .
NETWORK-COMPUTATION IN NEURAL SYSTEMS, 2015, 26 (3-4) :97-115
[8]  
Azam F, 2012, MED CHEM, V8, P1057
[9]   Neuroprotective effect of naphtha[1,2-d]thiazol-2-amine in an animal model of Parkinson's disease [J].
Azam, Faizul ;
Barodia, Sandeep Kumar ;
Anwer, Tarique ;
Alam, M. M. .
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2009, 24 (03) :808-817
[10]  
Balaban A.T., 2014, Topological Indices and Related Descriptors in QSAR and QSPAR