In Silico Docking Analysis Revealed the Potential of Phytochemicals Present in Phyllanthus Amarus and Andrographis Paniculata, Used in Ayurveda Medicine in Inhibiting SARS-CoV-2

Hiremath, Shridhar; D, Vinay Kumar H; Nandan, M; Mantesh, M; Shankarappa, K. S.; Venkataravanappa, V; R, Jahir Basha C; Reddy, C. N. Lakshminarayana

doi:10.26434/chemrxiv.12751361

Cited by 2 publications

(1 citation statement)

References 26 publications

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“…A static failure analysis has been carried out on different joints like adhesive bonding, mechanical bolting, and bonded-bolted joints, and revealed that bonded-bolted joints have higher strength in terms of joint strength [17][18]. Non-destructive testing based techniques are used to uncover the faults in the aviation materials, such as their efficacy in detecting and identifying, locating, and characterising damage in the early stages, to extend the life and monitor the health of the structures [19][20].…”

Section: Introductionmentioning

confidence: 99%

An experimental investigation on the adhesive, shear strength, and failure modes of glass fibre reinforced polymer flat‐joggle‐flat composite joints over different bonding techniques

Hiremath,

Reddy

2023

Materialwissenschaft Werkst

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The utilisation of composite materials, especially glass fibre‐reinforced polymer has significantly developed as a result of design innovations in aircraft applications. Joints are a major issue as they are the weak point of composite construction. In this study, considering a flat‐joggle‐flat joint over the single‐lap‐joint, the effect of different manufacturing techniques on co‐bonding, secondary‐bonding, and co‐curing for flat‐joggle‐flat joints on the shear behaviour and dynamic characteristics were investigated. The results affirmed that flat‐joggle‐flat joints increased the load‐carrying capacity by 110 % compared to single‐lap joint. In continuance, results revealed that co‐cure flat‐joggle‐flat joints enhanced the load by 86.43 % and 20.00 %, along with increased shear strength of 8.9 MPa over co‐bonding and secondary‐bonding. Field emission scanning electron microscopy reveals that destructive failure occurs at joints in co‐bonding and secondary‐bonding due to an increase in stress between the adhesive and the adherend, which can lead to fibre failure and matrix damage. The dynamic characteristics, like fundamental natural frequency, are increased in co‐cure flat‐joggle‐flat joint compared to co‐bonding and secondary‐bonding joints. The investigation reveals that innovative flat‐joggle‐flat joints and suitable manufacturing processes improve the shear strength, and dynamic properties of composite joints.

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Section: Introductionmentioning

confidence: 99%

An experimental investigation on the adhesive, shear strength, and failure modes of glass fibre reinforced polymer flat‐joggle‐flat composite joints over different bonding techniques

Hiremath,

Reddy

2023

Materialwissenschaft Werkst

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Investigation of The Binding Potential of Gadobutrol, Iohexol and Fluorescein Radiocontrast Agents to the TSH Receptor

Karataş

Gonel

2022

J Intell Syst Appl

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Radiopaque agents can affect the human body in different ways. The resulting reactions are simple allergic and anaphylactic reactions. If the potential of these agents to bind to different receptors is determined beforehand, precautions can be taken against the side effects that may occur in the future. The aim of this study is to investigate the binding potential of the active substances Fluorescein, Gadobutrol, Iohexol, which are frequently used in routine, to the TSH receptor with molecular docking. The conformational analysis of 3 drugs on TSH receptor surfaces was performed by molecular docking using Autodocktools program. First, the atomic center of the receptor was determined at the grid stage, and the XYZ center of the grid box was set to 9.524, 48.24 and 25.257 A, respectively, and the space gap was set to 0.5. Thus, a box was created in which the ligand can easily scan the entire surface. In the docking phase, a parameter file has been prepared and run for 100 conformation and 300 population size, accompanied by Lamarckian and Genetic Algorithms. The binding energies of fluorescein, gadobutrol and iohexol strengthen the possibility of spontaneous binding. However, when the inhibition concentrations are evaluated, it shows that fluorescein can more easily bind to the TSH receptor. Gadobutrol and iohexol are unlikely to reach these concentrations in the blood. This in vitro study demonstrates the potential for spontaneous binding of fluorescein, gadobutrol, and iohexol to the TSH receptor. Even if radiopaque drugs are used for diagnostic purposes, they may cause side effects by interacting with different receptors in the human body. Experimental studies are needed to confirm this possibility.

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In Silico Docking Analysis Revealed the Potential of Phytochemicals Present in Phyllanthus Amarus and Andrographis Paniculata, Used in Ayurveda Medicine in Inhibiting SARS-CoV-2

Cited by 2 publications

References 26 publications

An experimental investigation on the adhesive, shear strength, and failure modes of glass fibre reinforced polymer flat‐joggle‐flat composite joints over different bonding techniques

An experimental investigation on the adhesive, shear strength, and failure modes of glass fibre reinforced polymer flat‐joggle‐flat composite joints over different bonding techniques

Investigation of The Binding Potential of Gadobutrol, Iohexol and Fluorescein Radiocontrast Agents to the TSH Receptor

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