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Mathematical aspects and molecular descriptors for anti-tumour and anti-COVID drugs medications.
- Source :
-
Molecular Physics . May2024, Vol. 122 Issue 10, p1-9. 9p. - Publication Year :
- 2024
-
Abstract
- The COVID-19 pandemic has significantly affected both the global economy and human health. COVID-19 is a single-stranded RNA virus that spreads through the inhalation of viral droplets. Its genome encodes four structural proteins: the envelop protein, spike protein, membrane protein, and nucleocapsid protein. The virus's capsid is a protein shell that contains a positive RNA strand that allows it to take control of human cell machinery. Currently, the only treatments for COVID-19 are preventative measures and immunization. Some of the anti-COVID and anti-cancer medications used to combat this virus include Camptothecin Polymer, Hyaluronic Acid-curcumin, and Hydroxychloroquine. Graphs are used extensively in chemical investigation to provide a mathematical model of molecules. The selection of graph invariants, formerly known as molecular structure descriptor's, is the mathematical modelling of chemical compounds' physio-chemical, pharmacologic, and toxicological aspects. This paper presents a new technique to compute topological indices for three types of chemical networks for a few anti-COVID and anti-cancer medications. Our findings suggest that these indices show a strong association with the acentric factor and entropy, which make them effective in QSPR and QSAR analysis with high accuracy. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00268976
- Volume :
- 122
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Molecular Physics
- Publication Type :
- Academic Journal
- Accession number :
- 177455848
- Full Text :
- https://doi.org/10.1080/00268976.2023.2278702