ABSTRACT
A variety of graphical invariants have been described and tested, offering lots of applications in the fields of nanochemistry, computational networks and in different scientific research areas. One commonly studied group of invariants is the topological index, which allows to research the chemical, biological, and physical properties of a chemical structure. Topological indexes are numerical quantities that can be used to describe the properties of the molecular graph. In this article, we draw from the analytically closed formulas of certain molecular structures of coronavirus such as Ribavirin, Sofosbuvir and Oseltamivir by calculating temperature based topological indices.
ABSTRACT
Severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) was identified in December (2019) as the cause of an outbreak of a respiratory sickness and has infected more than 190 million people all over the world. Numerous vaccines have been tested for corona virus (Covid-19) therapy such as Hydoxychloroquine, Ribavirin, sofosbuvir, tenofuvir and remdisivir. Hydroxychloroquine (HCQ), which is used in the treatment of malaria or treat infection, has recently been demonstrated for use in COVID-19 as an emergency therapy. The chemical substance HCQ is manufactured by rearranging the molecular structure of Ethylene oxide produced by human products, such as waxy maize starch. In medical science chemical properties, physical properties, pharmaceutical properties and biological properties of medicines are essential for designing of the drugs. These properties can be identified by topological indices. In this paper, we compute the temperature based topological indices of hydroxychoroquine HCQ-HES, and the discoveries will be beneficial in the development of novel drugs and vaccines in order to avoid and operation of corona virus (COVID-19). [ABSTRACT FROM AUTHOR] Copyright of Polycyclic Aromatic Compounds is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
ABSTRACT
A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity temperature index, the product connectivity temperature index, the reciprocal product connectivity temperature index and the F temperature index of a molecular graph silicate network and silicate chain network. Furthermore, a QSPR study of the key topological indices is provided, and it is demonstrated that these topological indices are substantially linked with the physicochemical features of COVID-19 medicines. This theoretical method to find the temperature indices may help chemists and others in the pharmaceutical industry forecast the properties of silicate networks and silicate chain networks before trying.
Subject(s)
COVID-19 , Humans , Temperature , SilicatesABSTRACT
In medical sciences, the molecular structure is discussed under the consideration of the topological index, and related biological, pharmaceutical, medical and chemical properties of various drugs are examined by computing topological indices. Many scientific experiments are ongoing for the medication of COVID‐19 by using redeliver. In this paper, our objective is to calculate the degree‐based temperature indices and their respective temperature entropies for the molecular graph of remdesivir R. In this study, we derived some degree‐based temperature descriptors. Also, we computed temperature entropies of molecular structure by constructing the relation of degree‐based temperature descriptors with the help of specific information functions. Moreover, we analyzed and provided a graphical comparison of the calculated outcomes. These computed results maybe lead to the discovery of more effective drugs and modified vaccines for the overcome with COVID‐19. [ FROM AUTHOR] Copyright of International Journal of Quantum Chemistry is the property of John Wiley & Sons, Inc. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full . (Copyright applies to all s.)