Browsing by Author "Wang, Yong"

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On the Molecular Structure of Remdesivir Compound Applied for the Treatment of Corona Virus
(Taylor & Francis Ltd, 2024) Zhang, Lei; Wang, Yong; Atapour, Maryam; Zuo, Xuewu; Cancan, Murat
Coronavirus is a family of viruses that cause upper respiratory infections in humans. Drug properties can be obtained by studying the molecular structure of corresponding drugs. The calculation of the topological index of a drug structure enables scientists to have a better understanding of the physical chemistry and biological characteristics of drugs. In this paper, we study topological indices and find the exact formulas for general topological indices mSO gamma(G) and KA(gamma,eta)1(G). By the appropriate choice of parameters gamma and eta, several new/old inequalities that reveal topological indices are obtained.
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.