Combinatorial Chemistry & High Throughput Screening - Volume 25, Issue 3, 2022

The deluge of biological sequences ranging from those of proteins, DNA and RNA to genomes has motivated to devise models to represent them, which are further used to contrast those sequences. Here we present a brief bibliometric description of the research area devoted to the representation of biological sequences and highlight the semiotic elements of this process. Finally, we argue that this research area mus Read More

The exponential growth in the depositories of biological sequence data has generated an urgent need to store, retrieve and analyse the data efficiently and effectively for which the standard practice of using alignment procedures are not adequate due to high demand on computing resources and time. Graphical representation of sequences has become one of the most popular alignment-free strategies to analyse th Read More

Background: Biological macromolecules, namely, DNA, RNA, and protein, have their building blocks organized in a particular sequence and the sequential arrangement encodes the evolutionary history of the organism (species). Hence, biological sequences have been used for studying evolutionary relationships among the species. This is usually carried out by Multiple Sequence Algorithms (MSA). Due to certain limitatio Read More

Aim and Objective: The similarities comparison of biological sequences is an important task in bioinformatics. The methods of the similarities comparison for biological sequences are divided into two classes: sequence alignment method and alignment-free method. The graphical representation of biological sequences is a kind of alignment-free method, which constitutes a tool for analyzing and visualizing the biolo Read More

Aim and Objective: Aim and Objective: Sequence analysis is one of the foundations in bioinformatics. It is widely used to find out the feature metrics hidden in the sequence. Otherwise, the graphical representation of the biologic sequence is an important tool for sequencing analysis. This study is undertaken to find out a new graphical representation of biosequences. Materials and Methods: The transition probability is used to desc Read More

Background: Advancement in sequencing technology yields a huge number of genomes from a multitude of organisms on our planet. One of the fundamental tasks for processing and analyzing these sequences is to organize them in the existing taxonomic orders. Methods: Recently, we proposed a novel approach, GenFooT, for taxonomy classification using the concept of genomic footprint (GFP). The technique is further Read More

Background: Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 infection has become a worldwide pandemic and created an utmost crisis across the globe. To mitigate the crisis, the design of vaccine is the crucial solution. The frequent mutation of the virus demands generalized vaccine candidates, which would be effective for all mutated strains at present and for the strains that would evolve due to further new Read More

The aim of the studies is to show that graphical bioinformatics methods are good tools for the description of genome sequences of viruses. A new approach to the identification of unknown virus strains, is proposed. Methods: Biological sequences have been represented graphically through 2D and 3D-Dynamic Representations of DNA/RNA Sequences - theoretical methods for the graphical representation of the sequences devel Read More

Background: Cerium oxide nanoparticles (CeO2 NPs) have gained their importance as engineered nanomaterials (ENMs) that have wide applications as catalysts in industry, which direct to their prominent occurrence in natural and engineered water systems. Cerium oxide nanoparticles (CeO2 NPs) have gained their importance as engineered nanomaterials (ENMs) that have wide applications as catalysts in Read More

Background: Depression is a mental illness caused by the imbalance of important neurotransmitters such as serotonin (5-HT) and norepinephrine (NE). It is a serious neurological disorder that could be treated by antidepressant drugs. Objective: There are two major classes, such as TCAs and phenoxyphenylpropylamines, which have been proven to be broad-spectrum antidepressant compounds. Several attempts were made t Read More

Background: The valency of an atom in a molecular structure is the number of its neighboring atoms. A large number of valency based molecular invariants have been conceived, which correlate certain physio-chemical properties like boiling point, stability, strain energy and many more chemical compounds. Objective: Our aim is to study the valency based molecular invariants for four hexa chemical structures, namely h Read More

Background: A topological index of a molecular graph is the numeric quantity which can predict certain physical and chemical properties of the corresponding molecule. Xu et al. introduced some graph transformations which increase or decrease the first and second multiplicative Zagreb indices and proposed a unified approach to characterize extremal (n, m)- graphs. Method: Graph transformations are used to find the e Read More

Aim and Objective: Nanostructures are objects whose sizes vary between microscopic and molecular. The most significant of these new elements are carbon nanotubes. These elements have extraordinary microelectronic properties and many other exclusive physiognomies. Recently, researchers have given attention to the mathematical properties of these materials. The aim and objective of this research article is to i Read More

Background: The energy E(G)of Graph G is defined as the sum of the absolute values of the eigenvalues of its adjacency matrix. In theoretical chemistry, within the Huckel molecular orbital (HMO) approximation, the energy levels of the π-electrons in molecules of conjugated hydrocarbons are related to the energy of the molecular graphs. Objective: The digraph with maximum digraph energy in a class of graphs is found. M Read More

Aims and Objective: A fullerene graph is a mathematical model of a fullerene molecule. A fullerene molecule, or simply a fullerene, is a polyhedral molecule made entirely of carbon atoms other than graphite and diamond. Chemical graph theory is a combination of chemistry and graph theory, where theoretical graph concepts are used to study the physical properties of mathematically modeled chemical compounds. Graph lab Read More

Aim and Objective: Metal-organic network (MON) is a special class of molecular compounds comprising groups of metal ions and carbon-based ligand. These chemical compounds are examined employing one, two- or three-dimensional formation of porous ore and subfamilies of polymers. Metal-organic networks are frequently utilized in catalysis for the parting & distilling of different gases and by means of conducting solid Read More

Background: With the advent of the second-generation sequencing technology, the discovery of sequence alignment and sequence variation is a long-standing challenge Methods: A method based on general alignment software, SNP, and Indel software tools was proposed in this paper. By comparing the advantages of traditional alignment software, we can produce the best alignment. Results: SNP and Indel detection tools Read More

Background: A topological index is a real number associated with a graph that provides information about its physical and chemical properties and their correlations. Topological indices are being used successfully in Chemistry, Computer Science, and many other fields. Methods: In this article, we apply the well-known Cartesian product on F-sums of connected and finite graphs. We formulate sharp limits for some famous degre Read More