CovidChloroV1, Main, Corpus, bibRecord, 000167

Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.

Identifieur interne : 000167 ( Main/Corpus ); précédent : 000166; suivant : 000168

Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.

Auteurs : Jia-Bao Liu ; Micheal Arockiaraj ; M. Arulperumjothi ; Savari Prabhu

Source :

International journal of quantum chemistry [ 0020-7608 ] ; 2021.

RBID : pubmed:33785968

Abstract

The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.

DOI: 10.1002/qua.26617
PubMed: 33785968
PubMed Central: PMC7995035

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Le document en format XML

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<author><name sortKey="Liu, Jia Bao" sort="Liu, Jia Bao" uniqKey="Liu J" first="Jia-Bao" last="Liu">Jia-Bao Liu</name>
<affiliation><nlm:affiliation>School of Mathematics and Physics Anhui Jianzhu University Hefei China.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Arockiaraj, Micheal" sort="Arockiaraj, Micheal" uniqKey="Arockiaraj M" first="Micheal" last="Arockiaraj">Micheal Arockiaraj</name>
<affiliation><nlm:affiliation>Department of Mathematics Loyola College Chennai Tamil Nadu India.</nlm:affiliation>
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<author><name sortKey="Arulperumjothi, M" sort="Arulperumjothi, M" uniqKey="Arulperumjothi M" first="M" last="Arulperumjothi">M. Arulperumjothi</name>
<affiliation><nlm:affiliation>Department of Mathematics, Loyola College University of Madras Chennai Tamil Nadu India.</nlm:affiliation>
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<author><name sortKey="Prabhu, Savari" sort="Prabhu, Savari" uniqKey="Prabhu S" first="Savari" last="Prabhu">Savari Prabhu</name>
<affiliation><nlm:affiliation>Department of Mathematics Sri Venkateswara College of Engineering Sriperumbudur Tamil Nadu India.</nlm:affiliation>
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<front><div type="abstract" xml:lang="en">The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.</div>
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<Abstract><AbstractText>The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.</AbstractText>
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        <ReferenceList><Reference><Citation>Mol Inform. 2019 Nov;38(11-12):e1900039</Citation>
<ArticleIdList><ArticleId IdType="pubmed">31529609</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Chem Inf Comput Sci. 2003 Jul-Aug;43(4):1103-9</Citation>
<ArticleIdList><ArticleId IdType="pubmed">12870899</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Biosci Trends. 2020 Mar 16;14(1):72-73</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32074550</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Intern Emerg Med. 2020 Nov;15(8):1577-1578</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32347443</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>PLoS One. 2016 Dec 8;11(12):e0167075</Citation>
<ArticleIdList><ArticleId IdType="pubmed">27930705</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Nat Med. 2020 May 15;:</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32415251</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Rev Panam Salud Publica. 2020 Mar 20;44:e40</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32256547</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Lancet. 2020 Feb 15;395(10223):497-506</Citation>
<ArticleIdList><ArticleId IdType="pubmed">31986264</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Int J Antimicrob Agents. 2020 Apr;55(4):105932</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32145363</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>J Med Virol. 2020 Jun;92(6):693-697</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32167173</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Cell Res. 2020 Mar;30(3):269-271</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32020029</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Postgrad Med J. 2020 Sep;96(1139):550-555</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32295814</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Eur Rev Med Pharmacol Sci. 2020 Apr;24(8):4539-4547</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32373993</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Diabetes Metab Syndr. 2020 May - Jun;14(3):241-246</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32247211</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Saudi Pharm J. 2017 May;25(4):580-586</Citation>
<ArticleIdList><ArticleId IdType="pubmed">28579895</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Nat Med. 2020 Dec;26(12):1806</Citation>
<ArticleIdList><ArticleId IdType="pubmed">33288938</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Saudi Pharm J. 2017 May;25(4):548-555</Citation>
<ArticleIdList><ArticleId IdType="pubmed">28579890</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Antimicrob Agents Chemother. 2020 May 21;64(6):</Citation>
<ArticleIdList><ArticleId IdType="pubmed">32312781</ArticleId>
</ArticleIdList>
</Reference>
</ReferenceList>
</PubmedData>
</pubmed>
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Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.

Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19.

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