Statistical analysis of Revan topological indices for drug compounds used in treatment of tuberculosis

被引:0
|
作者
Shenoy, B. Gautham [1 ]
Kumar, M. Vishu [1 ]
Acharya, Divya [2 ]
Nagesh, H. M. [3 ]
Poojary, Prasanna [2 ]
机构
[1] Reva Univ, Sch Appl Sci, Dept Math, Bengaluru, India
[2] Manipal Acad Higher Educ, Manipal Inst Technol Bengaluru, Dept Math, Manipal, Karnataka, India
[3] PES Univ, Dept Sci & Humanities, Bangalore, Karnataka, India
关键词
molecular graph; topological indices; Revan degree; Revan topological indices; Revan topological polynomials; QSAR;
D O I
10.1088/1402-4896/ada120
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
One of the most infectious diseases, tuberculosis (TB) has a higher death rate than HIV/AIDS, and as a result of the COVID-19 pandemic, there is concern that the number of TB cases may increase. With the aid of QSPR models, the pharmaceutical industry is continuously searching for methods to enhance medication design procedures to stop the spread of infections and treat recently discovered syndromes or genetically based dysfunctions. QSPR models are mathematical tools that utilize structural properties to establish relationships between a molecular structure and its physicochemical attributes. One way to generate attributes from the molecular graph without the need for experimental measurements is to use topological indices. The goal of this work is to create a QSPR model for tuberculosis drugs and their many physicochemical characteristics using degree-based topological indices.
引用
收藏
页数:21
相关论文
共 50 条
  • [31] GENETIC SCREENING OF COMPOUNDS USED IN DRUG-ABUSE TREATMENT .2. METHADONE
    BRUSICK, D
    MATHESON, D
    JAGANNATH, D
    BRAUDE, M
    BROCKMAN, H
    HUNG, C
    DRUG AND CHEMICAL TOXICOLOGY, 1981, 4 (01) : 1 - 18
  • [32] Analysis of Degree-Based Topological Indices for Stroke Treatment Drugs: A Study on the Physicochemical Features
    Devi, S. Shenbaga
    Dhanalakshmi, S.
    IAENG International Journal of Applied Mathematics, 2024, 54 (06) : 1233 - 1239
  • [33] Treatment Outcome of Drug-Resistant Skeletal Tuberculosis: A Retrospective Analysis
    Himanshu Gupta
    Rajesh Arora
    Manish Chadha
    I. K. Dhammi
    Anil K. Jain
    Indian Journal of Orthopaedics, 2024, 58 : 402 - 411
  • [34] Treatment Outcome of Drug-Resistant Skeletal Tuberculosis: A Retrospective Analysis
    Gupta, Himanshu
    Arora, Rajesh
    Chadha, Manish
    Dhammi, I. K.
    Jain, Anil K.
    INDIAN JOURNAL OF ORTHOPAEDICS, 2024, 58 (04) : 402 - 411
  • [35] Vertex-Edge-Weighted Molecular Graphs: A Study on Topological Indices and Their Relevance to Physicochemical Properties of Drugs Used in Cancer Treatment
    Sorgun, Sezer
    Birgin, Kahraman
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2025, 65 (04) : 2093 - 2106
  • [36] Should Moxifloxacin Be Used for the Treatment of Extensively Drug-Resistant Tuberculosis? An Answer from a Murine Model
    Poissy, Julien
    Aubry, Alexandra
    Fernandez, Christine
    Lott, Marie-Catherine
    Chauffour, Aurelie
    Jarlier, Vincent
    Farinotti, Robert
    Veziris, Nicolas
    ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2010, 54 (11) : 4765 - 4771
  • [37] Evaluation of a novel line probe assay to detect resistance to pyrazinamide, a key drug used for tuberculosis treatment
    Driesen, M.
    Kondo, Y.
    de Jong, B. C.
    Torrea, G.
    Asnong, S.
    Desmaretz, C.
    Mostofa, K. S. M.
    Tahseen, S.
    Whitfield, M. G.
    Cirillo, D. M.
    Miotto, P.
    Cabibbe, A. M.
    Rigouts, L.
    CLINICAL MICROBIOLOGY AND INFECTION, 2018, 24 (01) : 60 - 64
  • [38] On Topological Descriptors and Curvilinear Regression Analysis of Antiviral Drugs Used in COVID-19 Treatment
    Ravi, Vignesh
    Siddiqui, Muhammad Kamran
    Chidambaram, Natarajan
    Desikan, Kalyani
    POLYCYCLIC AROMATIC COMPOUNDS, 2022, 42 (10) : 6932 - 6945
  • [39] Analysis of Combination Drug Therapy to Develop Regimens with Shortened Duration of Treatment for Tuberculosis
    Drusano, George L.
    Neely, Michael
    Van Guilder, Michael
    Schumitzky, Alan
    Brown, David
    Fikes, Steven
    Peloquin, Charles
    Louie, Arnold
    PLOS ONE, 2014, 9 (07):
  • [40] Graph Energy Variants and Topological Indices in Platinum Anticancer Drug Design: Mathematical Insights and Computational Analysis with DFT and QTAIM
    Wazzan, Suha
    Ozalan, Nurten Urlu
    JOURNAL OF MATHEMATICS, 2023, 2023