Topological Indices of Some Chemical Structures Applied for the Treatment of COVID-19 Patients

被引：116

作者：

Mondal, Sourav ^{[1
]}

De, Nilanjan ^{[2
]}

Pal, Anita ^{[1
]}

机构：

[1] NIT Durgapur, Dept Math, Durgapur, W Bengal, India

[2] Calcutta Inst Engn & Management, Dept Basic Sci & Humanities Math, Kolkata, India

来源：

POLYCYCLIC AROMATIC COMPOUNDS | 2022年 / 42卷 / 04期

关键词：

Primary; Secondary; Chloroquine; COVID-19; hydroxychloroquine; M-polynomial; molecular graph; remdesivir (GS-5734); theaflavin; topological index; MOLECULAR-STRUCTURE; GRAPH-THEORY; INFLUENZA-A; POLYNOMIALS; VIRUS; ORBITALS;

D O I：

10.1080/10406638.2020.1770306

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The novel coronavirus disease 2019 (COVID-19) emerged in Wuhan, China, and has spread rapidly to nearly every part of the world. Unfortunately, no drug or vaccine has been accepted for the treatment of this pandemic. Researchers have established the efficacy of some existing antiviral drugs to control COVID-19 in vitro. Some of them are remdesivir (GS-5734), chloroquine, hydroxychloroquine, theaflavin. Topological indices are mathematical interpretations of a molecule generated by an algorithm implemented to a given molecular representation. Topological indices are used to model different physicochemical properties and biological activities of chemical compounds. In this work, some degree-based and neighborhood degree sum-based topological indices are investigated for the aforesaid antiviral drugs using polynomial approach. The results obtained can aid in the design of new medicine for the treatment of COVID-19.

引用

页码：1220 / 1234

页数：15

共 62 条

[1] PI polynomial of V-phenylenic nanotubes and nanotori [J].

Alamian, Vahid ;

Bahrami, Amir ;

Edalatzadeh, Behrooz .

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2008, 9 (03) :229-234

[2] M-Polynomials And Topological Indices Of Zigzag And Rhombic Benzenoid Systems [J].

Ali, Ashaq ;

Nazeer, Waqas ;

Munir, Mobeen ;

Kang, Shin Min .

OPEN CHEMISTRY, 2018, 16 (01) :73-78

[3] The vertex-connectivity index revisited [J].

Amic, D ;

Beslo, D ;

Lucic, B ;

Nikolic, S ;

Trinajstic, N .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (05) :819-822

[4]

Anjum M. S., 2019, ENG APPL SCI LETT, V2, P19, DOI [10.30538/psrp-easl2019.0013, DOI 10.30538/PSRP-EASL2019.0013]

[5] HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX [J].

BALABAN, AT .

CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :399-404

[6]

Basavanagoud Bommanahal, 2019, Open Journal of Discrete Applied Mathematics, V2, P59

[7] On a class of distance-based molecular structure descriptors [J].

Brueckler, Franka Miriam ;

Doslic, Tomislav ;

Graovac, Ante ;

Gutman, Ivan .

CHEMICAL PHYSICS LETTERS, 2011, 503 (4-6) :336-338

[8]

Changyin Gan, PREPRINT

[9]

Chel Kwun Young, 2018, J CHEM, V2018, P1

[10] Theaflavins, polyphenols of black tea, inhibit entry of hepatitis C virus in cell culture [J].

Chowdhury, Pritom ;

Sahuc, Marie-Emmanuelle ;

Rouille, Yves ;

Riviere, Celine ;

Bonneau, Natacha ;

Vandeputte, Alexandre ;

Brodin, Priscille ;

Goswami, Manoranjan ;

Bandyopadhyay, Tanoy ;

Dubuisson, Jean ;

Seron, Karin .

PLOS ONE, 2018, 13 (11)

← 1 2 3 4 5 6 7 →