On Topological Indices of Remdesivir Compound Used in Treatment of Corona Virus (COVID 19)

Wei, Jianxin; Cancan, Murat; Rehman, Atiq Ur; Siddiqui, Muhammad Kamran; Nasir, Muhammad; Younas, Muhammad; Hanif, Muhammad

doi:10.1080/10406638.2021.1887299

Cited by 31 publications

(27 citation statements)

References 33 publications

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“…Kirmani et al [59] studied eight antiviral drugs including lopinavir, ritonavir, arbidol, and thalidomide via M-polynomial and NMpolynomials and performed QSPR and QSAR to predict the strength of these topological indices. For recent topological results and QSPR/QSAR on drugs being used in COVID-19 treatment, refer [60][61][62][63]. Very recently, Yang et al [64] consider nonadjacent vertices of molecular graph of COVID-19 drugs to investigate various topological coindices such as F-coindex, first Zagreb coindex, first multiplicative Zagreb coindex, second Zagreb coindex, and second multiplicative Zagreb coindex of hydroxyethyl starch conjugated with hydroxychloroquine used for COVID-19 treatment.…”

Section: Introductionmentioning

confidence: 99%

Topological Coindices and Quantitative Structure-Property Analysis of Antiviral Drugs Investigated in the Treatment of COVID-19

Kirmani

Ali

Ahmad

2022

Journal of Chemistry

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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.

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Section: Introductionmentioning

confidence: 99%

Topological Coindices and Quantitative Structure-Property Analysis of Antiviral Drugs Investigated in the Treatment of COVID-19

Kirmani

Ali

Ahmad

2022

Journal of Chemistry

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“…Milan Randic introduced the first degree-based index [29]. Wei et al defined the reverse Randic index as [33]:…”

Section: Molecular Graph Of Ethene (C) Subdivision Graph Of Ethene (D) Para-line Graph Of Ethenementioning

confidence: 99%

“…In a graph, the maximum vertex degree is denoted by Δ G ð Þ. The topological indices of Remdesivir compound used in the treatment of corona virus are well studied [33]. Topological study of hydroxychloroquine conjugated molecular structure used for novel coronavirus (COVID- 19) treatment are presented in [34].…”

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confidence: 99%

Topological analysis of para‐line graph of Remdesivir used in the prevention of corona virus

Liu

Singaraj

2021

Int J of Quantum Chemistry

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Topological indices are the molecular descriptors that characterize the formation of chemical compounds and they assist us to predict certain physical-chemical properties like molar refraction, molar volume, chromatographic behavior, boiling point, heat of vaporization and partition coefficient. The computation of the topological index of a drug design enable researchers to have a high quality conception of the physical science and bioorganic characteristics of drugs. Reverse degree based topological indices play important role for calculation of topological descriptor. Para-line graphs are used to illustrate the molecular structure in another way and these illustrations are valuable in structural chemistry. In this article, we present some reverse degree based topological indices namely, the reverse general Randic index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, the reverse forgotten index, the reverse Balaban index and different types of Zagreb indices for the para-line graph of Remdesivir. The results attained can help in the design of new medicine for the prevention of corona virus.

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“…e computation of topological indices has brought up a wide diversity of dormant uses for the evaluation of (QSAR) antiparasitic products. Reverse degree based molecular descriptors of remdesivir used in the treatment of coronavirus are discussed in [23].…”

Section: Introductionmentioning

confidence: 99%

On Reverse Valency Based Topological Characterization of a Chemical Compound

Rosary¹,

Fufa

2022

Journal of Mathematics

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Metal-organic frameworks explicit the consequence of these frameworks with adjustable implementations, namely, energy storage gadgets of magnificent electrode materials, gas store, heterogeneous catalysis, environmental hazard, estimation of chemicals, recognizing of definite gases, controlling solids, and supercapacitors. In this paper, we give explicit expression of the reverse general Randic index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, the reverse forgotten index, the reverse Balaban index, the reverse augmented index, and different types of reverse Zagreb indices of the metal-organic framework M1TPyP-M2 (TPyP = 5, 10, 15, 20-tetrakis (4-pyridyl) porphyrin and M1, M2 = Fe and Co). A graphical comparison of the calculated different types of the reverse degree based topological indices with the aid of the numerical values is also included.

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On Topological Indices of Remdesivir Compound Used in Treatment of Corona Virus (COVID 19)

Cited by 31 publications

References 33 publications

Topological Coindices and Quantitative Structure-Property Analysis of Antiviral Drugs Investigated in the Treatment of COVID-19

Topological Coindices and Quantitative Structure-Property Analysis of Antiviral Drugs Investigated in the Treatment of COVID-19

Topological analysis of para‐line graph of Remdesivir used in the prevention of corona virus

On Reverse Valency Based Topological Characterization of a Chemical Compound

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