Browsing by Author "Pattabiraman, K."

Now showing 1 - 2 of 2

Qspr Modeling With Topological Indices of Some Potential Drugs Against Cancer
(Taylor & Francis Ltd, 2023) Pattabiraman, K.; Sudharsan, S.; Cancan, Murat
In Sri Lanka as well as the rest of the globe, cancer is the top cause of mortality. One of the key medicines in treating tumors is anticancer medications and delivery dendrimers. To prevent the formation of the rapid proliferation of cancer cells, several tests were carried out. Because of this, research on dendrimers and anti-cancer medications is crucial. Topological indices (TIs) are molecular descriptors numerical values corresponding to the physical characteristics of a molecule's chemical structure. It costs money to determine a molecule's physical characteristics in a lab since it takes a lot of materials, medications, and time. Therefore, the relevant information about molecules may be obtained by computing TIs. This study's goals are to compute hitherto uncalculated eccentricity-based TIs for various anticancer structures and to use curvilinear regression models to forecast the physical characteristics of particular anticancer medications. These anticancer medications were given different TIs developed in this work, allowing the researchers to understand the physical, physicochemical, and chemical characteristics related to them. In addition comparative study of the novel indices with some well-known and mostly used indices in structure-property modeling and anticancer drugs in performed.
Topological Indices and Qspr Modeling of New Antiviral Drugs for Cancer Treatment
(Taylor & Francis Ltd, 2023) Huang, Lei; Wang, Yong; Pattabiraman, K.; Danesh, P.; Siddiqui, Muhammad Kamran; Cancan, Murat
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.