Computing Basis and Dimension of Chloroquine and Hydroxychloroquine by Using Chemical Graph Theory

Document Type

Article

Publication Date

1-1-2023

Abstract

Discovering a vaccine with reliable and effective treatment for the new corona virus disease 2019 (COVID-19) is indeed a long way off, and there seems to be a critical need to research additional viable medications that could save countless lives in the event of the COVID-19 pandemic. Scientists from all over the world are actively developing medical or anti-virus medications, which are safe and effective for COVID-19. The anti-viral drugs of chloroquine (CQ) and hydroxychloroquine (HCQ) have proved to be an efficient inhibitory effect by preventing the binding of spike covid protein. The determination of a pharmaceutical structure using a topological index allows researchers to have a better understanding of the physiological as well as bio-organic properties of drugs. The goal of this study is to employ molecular graph theory to determine some graph-theoretic parameters related to the molecular graph of CQ and HCQ. In this paper, we present some resolvability parameters such as metric dimension (MD), edge metric dimension (EMD), fault-tolerant metric dimension (FTMD), and fault-tolerant edge metric dimension (FTEMD) of CQ and HCQ. We prove that these resolvability parameters for CQ and HCQ are bounded and constant.

Publication Title

Polycyclic Aromatic Compounds

First Page Number

4131

Last Page Number

4147

DOI

10.1080/10406638.2022.2086269

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