Topological Indices and QSPR Modeling of New Antiviral Drugs for Cancer Treatment

Huang L., Wang Y., Pattabiraman K., Danesh P., Siddiqui M. K., Cancan M.

Polycyclic Aromatic Compounds, 2022 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Publication Date: 2022
  • Doi Number: 10.1080/10406638.2022.2145320
  • Journal Name: Polycyclic Aromatic Compounds
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Applied Science & Technology Source, CAB Abstracts, Chemical Abstracts Core, Communication Abstracts, Food Science & Technology Abstracts, Metadex, Pollution Abstracts, Veterinary Science Database, Civil Engineering Abstracts
  • Keywords: Antiviral drugs, chemical graphs, curve fitting, QSPR models, topological indices
  • Van Yüzüncü Yıl University Affiliated: Yes


© 2022 Taylor & Francis Group, LLC.The threat of developing a cancer therapy has been there for the past two to three decades. Almost 10 million people worldwide are affected by this illness each year. Anticancer medications are those that are used to treat cancer, a malignant condition. These anticancer medications come in a variety of types, such as hormones, antimetabolites, and alkalizing agents. Numerous studies demonstrate a close relationship between the chemical structure of anticancer drugs and alkane characteristics including boiling, melting, and enthalpy. Some antiviral medications that are thought to hold promise for the treatment of cancer are examined in the planned research. For the chemical graphs of these medications, ST-polynomials based on status distance are computed. Numerous topological indices (TI) that depend on the status distance may be constructed by applying these polynomials. Additionally, the TIs are used in the creation of the QSPR models to estimate some of the physicochemical characteristics of these medications. Curve fitting is used to produce the QSPR research.