Degree-based topological indices on anticancer drugs with QSPR analysis

被引:63
|
作者
Shanmukha, M. C. [1 ,2 ]
Basavarajappa, N. S. [2 ,3 ]
Shilpa, K. C. [2 ,4 ]
Usha, A. [5 ]
机构
[1] Jain Inst Technol, Dept Math, Davanagere 577003, Karnataka, India
[2] Visvesvaraya Technol Univ, Belagavi, Karnataka, India
[3] Bapuji Inst Engn & Technol, Dept Math, Davanagere 577004, Karnataka, India
[4] Bapuji Inst Engn & Technol, Dept Comp Sci & Engn, Davanagere 577004, Karnataka, India
[5] Alliance Univ, Dept Math, Alliance Coll Engn & Design, Anekal Chandapura Rd, Bangalore, Karnataka, India
关键词
Pharmaceutical chemistry; Topological indices; Anti cancer drugs; QSPR analysis;
D O I
10.1016/j.heliyon.2020.e04235
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
From last two to three decades, the world is facing the threat of finding treatment for Cancer. This disease is striking almost ten million people every year throughout the world. Anticancer drugs are those which are used to cure malignant disease i.e. Cancer. These anticancer drugs are available in different forms including alkalyting agents, hormones and anti metabolites. Various examinations reveals that, there will be a adjacent relationship between the characteristics of alkanes and the anticancer drugs viz. Boiling point, melting point, enthalpy etc. with their chemical structures. In this proposed work, various topological indices are de fined on some anticancer drugs to help the researchers to know the physical characteristics and chemical reaction associated with them. We also discuss the QSPR analysis of thirteen degree based topological indices. Further, we showcase that the characteristics have good correlation with physico-chemical characteristics of anticancer drugs.
引用
收藏
页数:9
相关论文
共 50 条
  • [1] Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs
    Adnan, Mr.
    Bokhary, Syed Ahtsham Ul Haq
    Abbas, Ghulam
    Iqbal, Tanveer
    [J]. JOURNAL OF CHEMISTRY, 2022, 2022
  • [2] On some neighbourhood degree-based topological indices with QSPR analysis of asthma drugs
    Balasubramaniyan, Deepa
    Chidambaram, Natarajan
    [J]. EUROPEAN PHYSICAL JOURNAL PLUS, 2023, 138 (09):
  • [3] On some neighbourhood degree-based topological indices with QSPR analysis of asthma drugs
    Deepa Balasubramaniyan
    Natarajan Chidambaram
    [J]. The European Physical Journal Plus, 138
  • [4] Degree-based topological indices on anticancer drugs with QSPR analysis (vol 6, e04235, 2020)
    Shanmukha, M. C.
    Basavarajappa, N. S.
    Shilpa, K. C.
    Usha, A.
    [J]. HELIYON, 2020, 6 (09)
  • [5] Reduced neighborhood degree-based topological indices on anti-cancer drugs with QSPR analysis
    Dhanajayamurthy, B., V
    Shalini, G. B. Sophia
    [J]. MATERIALS TODAY-PROCEEDINGS, 2022, 54 : 608 - 614
  • [6] A study on anti-malaria drugs using degree-based topological indices through QSPR analysis
    Zhang, Xiujun
    Reddy, H. G. Govardhana
    Usha, Arcot
    Shanmukha, M. C.
    Farahani, Mohammad Reza
    Alaeiyan, Mehdi
    [J]. MATHEMATICAL BIOSCIENCES AND ENGINEERING, 2023, 20 (02) : 3594 - 3609
  • [7] Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature
    Rasheed, Muhammad Waheed
    Mahboob, Abid
    Hanif, Iqra
    [J]. FRONTIERS IN PHYSICS, 2024, 12
  • [8] A QSPR analysis of physical properties of antituberculosis drugs using neighbourhood degree-based topological indices and support vector regression
    Abubakar, Muhammad Shafii
    Aremu, Kazeem Olalekan
    Aphane, Maggie
    Amusa, Lateef Babatunde
    [J]. HELIYON, 2024, 10 (07)
  • [9] Degree-Based Topological Indices
    Gutman, Ivan
    [J]. CROATICA CHEMICA ACTA, 2013, 86 (04) : 351 - 361
  • [10] A QSPR analysis and curvilinear regression models for various degree-based topological indices: Quinolone antibiotics
    Kirana, B.
    Shanmukha, M. C.
    Usha, A.
    [J]. HELIYON, 2024, 10 (12)