RETRACTED: Topological Coindices and Quantitative Structure-Property Analysis of Antiviral Drugs Investigated in the Treatment of COVID-19 (Retracted Article)

被引:12
作者
Kirmani, Syed Ajaz K. [1 ]
Ali, Parvez [2 ]
Ahmad, Jawed [3 ]
机构
[1] Qassim Univ, Coll Engn, Dept Elect Engn, Unaizah, Saudi Arabia
[2] Qassim Univ, Coll Engn, Dept Mech Engn, Unaizah, Saudi Arabia
[3] Mai Nefhi Coll Engn & Technol, Dept Agr Engn, Asmera, Eritrea
关键词
ZAGREB INDEXES; GRAPH-THEORY; POLYNOMIALS; COINDEX;
D O I
10.1155/2022/3036655
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
SARS-CoV-2 is a new strain of coronavirus family that has never been previously detected in humans. This has grown into a huge public health issue that has affected people all around the world. Presently, there is no specific antiviral treatment for COVID-19. To tackle the outbreak, a number of drugs are being explored or have been utilized based on past experience. A molecular descriptor (or topological index) is a numerical value that describes a compound's molecular structure and has been successfully employed in many QSPR/QSAR investigations to represent several physicochemical attributes. In order to determine topological characteristics of graphs, coindices (topological) take nonadjacent pair of vertices into account. In this study, we introduced CoM-polynomial and numerous degree-based topological coindices for several antiviral medicines such as lopinavir, ritonavir remdesivir, hydroxychloroquine, chloroquine, theaflavin, thalidomide, and arbidol which were studied using the CoM-polynomial approach. In the QSPR model, the linear regression approach is used to analyze the relationships between physicochemical properties and topological coindices. The findings show that the topological coindices under investigation have a substantial relationship with the physicochemical properties of possible antiviral medicines in question. As a result, topological coindices may be effective tools for studying antiviral drugs in the future for QSPR analyses.
引用
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页数:15
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