Discovery of novel 1,2,4-triazole tethered β-hydroxy sulfides as bacterial tyrosinase inhibitors: synthesis and biophysical evaluation through in vitro and in silico approaches

In this study, a series of 1,2,4-triazole-tethered β-hydroxy sulfide scaffolds 11a–h was synthesized in good to remarkable yields (69–90%) through the thiolysis of oxiranes by the thiols in aqueous basic catalytic conditions. The synthesized 1,2,4-triazole-tethered β-hydroxy sulfides were screened against bacterial tyrosinase enzyme, and Gram-positive and Gram-negative bacterial cultures i.e., (S. aureus) Staphylococcus aureus & (E. coli) Escherichia coli. Among the synthesized derivatives, the molecules 11a (IC50 = 7.67 ± 1.00 μM), 11c (IC50 = 4.52 ± 0.09 μM), 11d (IC50 = 6.60 ± 1.25 μM), and 11f (IC50 = 5.93 ± 0.50 μM) displayed the better tyrosinase inhibitory activity in comparison to reference drugs ascorbic acid (IC50 = 11.5 ± 1.00 μM) and kojic acid (IC50 = 30.34 ± 0.75 μM). The molecule benzofuran-triazol-propan-2-ol 11c proved to be the most potent bacterial tyrosinase inhibitory agent with a minimum IC50 of 4.52 ± 0.09 μM, as compared to other synthesized counterparts and both standards (kojic acid and ascorbic acid). The compound diphenyl-triazol-propan-2-ol 11a and benzofuran-triazole-propan-2-ol 11c showed comparable anti-bacterial chemotherapeutic efficacy with minimum inhibitory concentrations (MIC = 2.0 ± 2.25 mg mL−1 and 2.5 ± 0.00 mg mL−1, respectively) against S. aureus bacterial strain in comparison with standard antibiotic penicillin (MIC = 2.2 ± 1.15 mg mL−1). Furthermore, among the synthesized derivatives, only compound 11c demonstrated better anti-bacterial activity (MIC = 10 ± 0.40 mg mL−1) against E. coli, which was slightly less than the standard antibiotic i.e., penicillin (MIC = 2.4 ± 1.00 mg mL−1). The compound 11c demonstrated a better binding score (−7.08 kcal mol−1) than ascorbic acid (−5.59 kcal mol−1) and kojic acid (−5.78 kcal mol−1). Molecular docking studies also validate the in vitro anti-tyrosinase assay results; therefore, the molecule 11c can be the lead bacterial tyrosinase inhibitor as well as the antibacterial agent against both types of bacterial strains after suitable structural modifications

Domination in Join of Fuzzy Incidence Graphs Using Strong Pairs with Application in Trading System of Different Countries

Fuzzy graphs (FGs), broadly known as fuzzy incidence graphs (FIGs), are an applicable and well-organized tool to epitomize and resolve multiple real-world problems in which ambiguous data and information are essential. In this article, we extend the idea of domination of FGs to the FIG using strong pairs. An idea of strong pair dominating set and a strong pair domination number (SPDN) is explained with various examples. A theorem to compute SPDN for a complete fuzzy incidence graph (CFIG) is also provided. It is also proved that in any fuzzy incidence cycle (FIC) with l vertices the minimum number of elements in a strong pair dominating set are M[γs(Cl(σ,ϕ,η))]=⌈l3⌉. We define the joining of two FIGs and present a way to compute SPDN in the join of FIGs. A theorem to calculate SPDN in the joining of two strong fuzzy incidence graphs is also provided. An innovative idea of accurate domination of FIGs is also proposed. Some instrumental and useful results of accurate domination for FIC are also obtained. In the end, a real-life application of SPDN to find which country/countries has/have the best trade policies among different countries is examined. Our proposed method is symmetrical to the optimization

Picture Fuzzy Incidence Graphs with Application

In this research article, we initiate the novel idea of picturefuzzy incidence graphs (PFIGs). We explain some innovative notionscomprising of picture fuzzy cut-vertices, picture fuzzy bridges, picturefuzzy incidence cutpairs, and picture fuzzy incidence cut-vertices. Somerudimentary theorems and essential results are also examined in the PFIGs.Further, we determine the different concepts together with the order, size,and certain kinds of degrees in PFIG. A new type of PFIGs namely,complete picture fuzzy incidence graphs (CPFIGs) and complement of(PFIGs) are also furnished. A comparative analysis of PFIGs with fuzzyincidence graphs is also presented. Finally, an application of PFIGs inthe control of illegal transportation of people from India to America isprovided.AMS (MOS) Subject Classification Codes: 05C40; 05C70; 05C72KeyWords: Fuzzy set, Fuzzy graph, Fuzzy incidence graph, Picture fuzzy graph

An Application of Product of Intuitionistic Fuzzy Incidence Graphs in Textile Industry

In this research article, we presented the idea of intuitionistic fuzzy incidence graphs (IFIGs) along with their certain properties. The number of operations including Cartesian product (CP), composition, tensor product, and normal product in an IFIGs are also investigated. The method to compute the degree of IFIGs obtained by CP, composition, tensor product, and the normal product is discussed. Some important theorems to calculate the degree of the vertices of IFIGs acquired by CP, composition, tensor product, and normal product are elaborated. An application of CP and composition of two IFIGs in the textile industry to find the best combinations of departments expressing the highest percentage of progress and the lowest percentage of nonprogress is provided. A comparative analysis of our study with the existing study is discussed. Our study will be beneficial to comprehend and understand the further characteristics of IFIGs in detail. Another advantage of our study is that it will be helpful to find the maximum percentage of progress and minimum percentage of nonprogress in different departments of universities, garment factories, and hospitals

Domination of Fuzzy Incidence Graphs with the Algorithm and Application for the Selection of a Medical Lab

Fuzzy graphs (FGs), broadly known as fuzzy incidence graphs (FIGs), have been recognized as being an effective tool to tackle real-world problems in which vague data and information are essential. Dominating sets (DSs) have multiple applications in diverse areas of life. In wireless networking, DSs are being used to find efficient routes with ad hoc mobile networks. In this paper, we extend the concept of domination of FGs to the FIGs and show some of their important properties. We propose the idea of order, size, and domination in FIGs. Two types of domination, namely, strong fuzzy incidence domination and weak fuzzy incidence domination, for FIGs are discussed. A relationship between strong fuzzy incidence domination and weak fuzzy incidence domination for complete fuzzy incidence graphs (CFIGs) is also introduced. An algorithm to find a fuzzy incidence dominating set (FIDS) and a fuzzy incidence domination number (FIDN) is discussed. Finally, an application of fuzzy incidence domination (FID) is provided to choose the best medical lab among different labs for the conduction of tests for the coronavirus

Connectivity and Wiener Index of Fuzzy Incidence Graphs

Connectivity is a key theory in fuzzy incidence graphs FIGs. In this paper, we introduced connectivity index CI, average connectivity index ACI, and Wiener index WI of FIGs. Three types of nodes including fuzzy incidence connectivity enhancing node FICEN, fuzzy incidence connectivity reducing node FICRN, and fuzzy incidence connectivity neutral node FICNN are also discussed in this paper. A correspondence between WI and CI of a FIG is also computed

Heat transfer analysis of single-walled carbon nanotubes in Ellis's fluid model: Comparative study of uniform and non-uniform channels

Background: The essential features of nanoparticles in nanofluids play a vital role in nanotechnology. The nanosized particles of carbon are known as carbon nanotubes (CNTs). The properties of CNT like thermal and electrical conductivity, lightweight, flexibility, and mechanical strength support its applications in the medical field i.e., diagnostic and therapeutic agents (drugs, antibodies, biosensors, vaccines etc.). These are not only excellent vehicles for drug delivery and gene therapies but also useful in biosensor diagnostic, enantiomer separation of chiral drugs, tissue regeneration, extraction, and analysis of pollutants and drugs. Objective: The focus of this research work is to open the essential features of peristaltic transport of Ellis nanofluid through uniform and non-uniform channels with suspension of single-walled carbon nanotubes (SWCNT). The consideration of blood flow with SWCNT under the effects of heat generation and electroosmosis is one of the key factors of this investigation. Method: The complexity of the system is reduced with the implementation of the concepts of longer wavelength and lower Reynolds number. The governing two-dimensional equations are simplified by introducing dimensionless variables and parameters. The mathematical tool “MATHEMATICA 13.3” is used to compute the exact solution and graphical demonstration of velocity, temperature, heat transfer rate, and streamlines. Computational results: It is noticed that velocity, temperature, and heat transfer rate are prominent in non-uniform channels as compared to uniform channels. Similarly, the size and number of boluses during the trapping phenomenon increase or decrease quickly in non-uniform channels. The volumetric addition of SWCNT diminishes the velocity and temperature while the heat transfer rate is enhanced in both channels but in the nonuniform channel effects are more prominent. Applications: This study explores the applications of SWCNT in medical fields like angiography, angioplasty, and cancer therapy. Novelty: The present study is new and has never been addressed before

Estimation of surface deformation due to Pasni earthquake using RADAR interferometry

This study analyzed the land deformation associated with Mw 6.3 earthquake along Pasni coast, Pakistan. Post-earthquake widespread surface displacements were found using Sentinel-1 data. Pre, Co and Post-seismic images were used to investigate the deformation trends. Before the earthquake, 89.65% of Pasni land mass showed uplifting from 0.0 to 3.0 cm at 1.00 mm/day while 3.0 cm subsidence was noted in 86.36% of the land mass after the earthquake at 2.5 mm/day. However, two weeks after the earthquake, 72.9% Pasni land mass showed uplifting at an unprecedented rate of 3.3 mm/day. The maximum deformation along the Line Of Sight (LOS) direction in co-seismic time was about -4.0 cm. Azimuthal interferogram showed more complex displacement pattern with both negative and positive displacements between ±5.0 cm. Pasni is already facing many problems due to increased sea water intrusion under prevailing climatic changes and land deformation due to strong earthquakes