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

Authors :
Singh, Yogesh
Raza, Hassan
Sharma, Sunny Kumar
Bhat, Vijay Kumar
Source :
Polycyclic Aromatic Compounds; 2023, Vol. 43 Issue 5, p4131-4147, 17p
Publication Year :
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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10406638
Volume :
43
Issue :
5
Database :
Complementary Index
Journal :
Polycyclic Aromatic Compounds
Publication Type :
Academic Journal
Accession number :
164366319
Full Text :
https://doi.org/10.1080/10406638.2022.2086269