Topological Indices of Dendrimers used in Drug Delivery

Jude, Thayamathy Pio; Elango, P.; Koneswaran, Masilamani

doi:10.3329/jsr.v12i4.45389

Cited by 3 publications

(3 citation statements)

References 21 publications

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“…The Randić index and the Zagreb index are the mostly studied types of degree-based topological indices in drug design (Gao et al, 2013: Nilanjan De, 2018Jude et al, 2019;Jude et al, 2020). The well-known Zagreb index which is the oldest degree-based topological index was introduced by Gutman and Trinajstić in 1972 during the analysis of the structure-dependency of total π-electron energy (Gutman & Trinajstić, 1972).…”

Section: {��}⊆�(�)mentioning

confidence: 99%

M-polynomial and topological indices for the anti-tuberculosis drugs

Jude¹,

Elango

Koneswaran

2022

J. Natn. Sci. Foundation Sri Lanka

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Tuberculosis (TB) is one of the deadliest infectious diseases which is caused by the Mycobacterium tuberculosis. A group of first line anti-TB drugs namely isoniazid, rifampicin, pyrazinamide and ethambutol have been accepted for the treatment of drug susceptible tuberculosis. A topological index is a molecular structure descriptor which is a numerical value associated with chemical constitution for correlation of a chemical structure with its properties. The aim of this work is to investigate some degree-based topological indices for the above-mentioned anti-TB drugs using a polynomial approach. The molecular graphs of these anti-TB drugs structures were used to derive the M-Polynomials and then the derived formulas were used to calculate topological indices of the respective structures. This research could facilitate the design of new medicines against these pathogenic bacteria.

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Section: {��}⊆�(�)mentioning

confidence: 99%

M-polynomial and topological indices for the anti-tuberculosis drugs

Jude¹,

Elango

Koneswaran

2022

J. Natn. Sci. Foundation Sri Lanka

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“…Also, Rajeswari and Parvathi discussed the Zagreb indices correlating nanotubes [18] and detailed studies on nanotechnology can be found from studies [19,20]. The application relating drug delivery and topological indices provides a key role in COVID-19 treatment [21][22][23][24][25]. Ortega et al gave a brief explanation on MATLAB based particle size distribution to understand the physical properties of compounds [26].…”

Section: Introductionmentioning

confidence: 99%

Analysis of Sombor and Harmonic Indices of Thorn Cog-Graphs

Krishnan,

Narayan

2023

MMEP

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In the realm of chemical graph theory, a topological index is a numerical parameter derived from a molecular graph. This index offers a streamlined approach to numerically calculate and compare various physico-chemical properties of chemical compounds, such as melting point, boiling point, viscosity, size, shape, atom count, bond strength, enthalpy, and geometric characteristics. Traditional scientific exploration of these properties, conducted in a laboratory setting, is often timeintensive, costly, and demands expertise in the respective field. Chemical graph theory provides a more cost-effective and straightforward solution, enabling the correlation of topological indices with chemistry. This approach allows for the computational analysis of any chemical species using mathematical tools, circumventing the need for laboratory-based experiments. This approach offers considerable benefits in chemical science, as it employs mathematical and theoretical methods to estimate a molecule's physico-chemical properties. The primary objective of this paper is to elucidate the correlation between thorn graphs and topological indices, utilizing the methods of vertex degrees and edge partitioning. The paper conducts a rigorous analysis of thorn graphs using mathematical calculations, deriving the relationship between the indices. These indices play a pivotal role in a diverse array of research areas, including chemoinformatics, pharmaceutical industry applications, and toxicity prediction among others.

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“…In particular, they help in the study of certain physical characteristics of chemical compounds such as the boiling point, ash point, density, stability, and many more. They also serve as powerful tools to execute biological network analysis, and also to determine the physical features and the chemical reactions associated with various drugs without having to carry out the actual experiment, for instance, see [15,16].…”

Section: Introductionmentioning

confidence: 99%

Analysis of the Zagreb Indices over the Weakly Zero-Divisor Graph of the Ring Zp×Zt×Zs

Rehman,

Alali,

Mir

et al. 2023

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Let R be a commutative ring with identity, and Z(R) be the set of zero-divisors of R. The weakly zero-divisor graph of R denoted by WΓ(R) is an undirected (simple) graph with vertex set Z(R)*, and two distinct vertices x and y are adjacent, if and only if there exist r∈ann(x) and s∈ann(y), such that rs=0. Importantly, it is worth noting that WΓ(R) contains the zero-divisor graph Γ(R) as a subgraph. It is known that graph theory applications play crucial roles in different areas one of which is chemical graph theory that deals with the applications of graph theory to solve molecular problems. Analyzing Zagreb indices in chemical graph theory provides numerical descriptors for molecular structures, aiding in property prediction and drug design. These indices find applications in QSAR modeling and chemical informatics, contributing to efficient compound screening and optimization. They are essential tools for advancing pharmaceutical and material science research. This research article focuses on the basic properties of the weakly zero-divisor graph of the ring Zp×Zt×Zs, denoted by WΓ(Zp×Zt×Zs), where p, t, and s are prime numbers that may not necessarily be distinct and greater than 2. Moreover, this study includes the examination of various indices and coindices such as the first and second Zagreb indices and coindices, as well as the first and second multiplicative Zagreb indices and coindices of WΓ(Zp×Zt×Zs).

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Topological Indices of Dendrimers used in Drug Delivery

Cited by 3 publications

References 21 publications

M-polynomial and topological indices for the anti-tuberculosis drugs

M-polynomial and topological indices for the anti-tuberculosis drugs

Analysis of Sombor and Harmonic Indices of Thorn Cog-Graphs

Analysis of the Zagreb Indices over the Weakly Zero-Divisor Graph of the Ring Zp×Zt×Zs

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