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
  • [41] Pangenome Analysis of Mycobacterium tuberculosis Reveals Core-Drug Targets and Screening of Promising Lead Compounds for Drug Discovery
    Dar, Hamza Arshad
    Zaheer, Tahreem
    Ullah, Nimat
    Bakhtiar, Syeda Marriam
    Zhang, Tianyu
    Yasir, Muhammad
    Azhar, Esam I.
    Ali, Amjad
    ANTIBIOTICS-BASEL, 2020, 9 (11): : 1 - 14
  • [42] Malnutrition and unsuccessful tuberculosis treatment among people with multi-drug resistant tuberculosis in Uganda: A retrospective analysis
    Engoru, Samuel
    Bajunirwe, Francis
    Izudi, Jonathan
    JOURNAL OF CLINICAL TUBERCULOSIS AND OTHER MYCOBACTERIAL DISEASES, 2024, 37
  • [43] Topological Indices and QSPR/QSAR Analysis of Some Drugs Being Investigated for the Treatment of Alzheimer's Disease Patients
    Yasin, H. Mohammed
    Suresh, M.
    Bayati, Jalal Hatem Hussein
    BAGHDAD SCIENCE JOURNAL, 2025, 22 (01)
  • [44] Ion mobility-mass spectrometry analysis of diarylquinoline diastereomers: Drugs used for tuberculosis treatment
    Domalain, Virginie
    Hubert-Roux, Marie
    Queguiner, Laurence
    Fouque, Dany J. D.
    Arnoult, Eric
    Speybrouck, David
    Guillemont, Jerome
    Afonso, Carlos
    EUROPEAN JOURNAL OF MASS SPECTROMETRY, 2019, 25 (03) : 291 - 299
  • [45] Quantitative CE analysis of punicalagin in Combretum aculeatum extracts traditionally used in Senegal for the treatment of tuberculosis
    Diop, ElHadji Assane
    Jacquat, Jenna
    Drouin, Nicolas
    Queiroz, Emerson Ferreira
    Wolfender, Jean-Luc
    Diop, Tahir
    Schappler, Julie
    Rudaz, Serge
    ELECTROPHORESIS, 2019, 40 (21) : 2820 - 2827
  • [46] Machine Learning Regression Models for Predicting Anti-Cancer Drug Properties: Insights from Topological Indices in QSPR Analysis
    Kour, Simran
    Sankar, J. Ravi
    CONTEMPORARY MATHEMATICS, 2024, 5 (04): : 6515 - 6526
  • [47] Drug Susceptibility Testing Guided Treatment for Drug-Resistant Spinal Tuberculosis: A Retrospective Analysis of 19 Patients
    Lan Xu
    Xu Jian-Zhong
    Liu Xue-Mei
    Ge Bao-Feng
    INTERNATIONAL SURGERY, 2013, 98 (02) : 175 - 180
  • [48] Initial drug resistance and tuberculosis treatment outcomes: Systematic review and meta-analysis
    Lew, Woojin
    Pai, Madhukar
    Oxlade, Olivia
    Martin, Daniel
    Menzies, Dick
    ANNALS OF INTERNAL MEDICINE, 2008, 149 (02) : 123 - 134
  • [49] Safety of cycloserine and terizidone for the treatment of drug-resistant tuberculosis: a meta-analysis
    Hwang, T. J.
    Wares, D. F.
    Jafarov, A.
    Jakubowiak, W.
    Nunn, P.
    Keshavjee, S.
    INTERNATIONAL JOURNAL OF TUBERCULOSIS AND LUNG DISEASE, 2013, 17 (10) : 1257 - 1266
  • [50] Hepatoprotector for Drug Induced Hepatitis Related Tuberculosis Treatment in Bogor: Cost Effectiveness Analysis
    Utaminingsih, L.
    Hasan, D.
    Kosasih, A.
    AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE, 2020, 201