Drug designing and toxicity screening of halogen and nitrogen-augmented catechin in sarcopenic obesity

Sabarathinam, Sarvesh; Satheesh, Sanjana; Ganamurali, Nila; Dhanasekaran, Dhivya; Raja, Arun

doi:10.1080/14786419.2023.2245536

Cited by 3 publications

(1 citation statement)

References 18 publications

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“…The data for toxicity of the gingerol derivatives were collected from admetSAR − 2.0 ( http://lmmd.ecust.edu.cn/admetsar2 ), PkCSM server( http://structure.bioc.cam.ac.uk/pkcsm ) and Protox-II server ( Drwal et al, 2014 , Banerjee et al, 2018 , Sabarathinam et al, 2023a , Sabarathinam et al, 2023b )The toxicity parameters of the synthesized gingerol derivatives is mentioned in Table 3 .…”

Section: Methodsmentioning

confidence: 99%

Isolation of 6-gingerol and semi-synthesis of 1,4-benzodiazepines derivatives: An in-situ pharmacokinetics properties, molecular docking and molecular dynamics simulation assessments

Vaithiyalingam,

Mohan Kumar,

Khagar

et al. 2024

Saudi Journal of Biological Sciences

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Section: Methodsmentioning

confidence: 99%

Isolation of 6-gingerol and semi-synthesis of 1,4-benzodiazepines derivatives: An in-situ pharmacokinetics properties, molecular docking and molecular dynamics simulation assessments

Vaithiyalingam,

Mohan Kumar,

Khagar

et al. 2024

Saudi Journal of Biological Sciences

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GC-MS analysis of an ethanolic extract of Ocimum species: a network pharmacology analysis insight towards obesity

Gnanamurthy,

Narasimhan,

Sabarathinam

2024

Future Science OA

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Aim: In this study, we have selected two different Ocimum tenuiflorum plants, Ocimum tenuiflorum (Rama tulsi) (OTRT) and Ocimum tenuiflorum (Krishna tulsi) (OTKT). Materials & methods: In the present investigation, ethanol was used as a solvent to estimate the bioactive compounds present in it through gas chromatography-mass spectrometry (GC–MS). Results: Based on the GC-MS data benzenepropanoic acid, 3-methoxy-alpha,4-bis[(trimethylsilyl)oxy was found to be the potent compound in OTRT (MW:428.74 g/mol) and methyl 3-(4-benzyloxy-3,5-dimethoxyphenyl)-2-methylpropanoate in OTKT (MW:342.39 g/mol). To estimate its pharmacological application, an integrated Network Pharmacology approach is performed toward the disease target obesity. Conclusion: From the Protein–Protein interaction from the string database, SRC, BCL2, EGFR, MTOR, CDK1, ERBB2, MAPK1, FYN, AR and MAPK14 are the top-ranked targets.

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Synthesis of Quercetin–Iron (Fe) Complex and Its In Silico and In Vitro Confirmation Towards Antibacterial Activity

Khagar,

Wankhade,

Sabarathinam

2023

Future Med. Chem.

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Aim: In this study quercetin–iron complex (QFC) was synthesized, and the structural characterizations such as x-ray diffraction, field emission-scanning electron microscopy, energy-dispersive x-ray and Brunner-Emmitt-Teller adsorption–desorption isotherm analysis revealed the crystallinity state, surface morphology and nature of the adsorbing surface with surface area value. Methodology: Functional characterizations such as UV-visible spectrometric and Fourier transform infrared analysis collectively indicated the chemical changes that appeared after complex formation in terms of characteristic change in the spectrum and band position, respectively. Results: The in vitro antibacterial activity against Escherichia coli and Staphylococcus aureus has shown a dose-dependent decrease in colony count and achieved significant removal at 15 mg/ml concentration of QFC. Conclusion: The molecular docking study supports the therapeutic application of QFC.

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Drug designing and toxicity screening of halogen and nitrogen-augmented catechin in sarcopenic obesity

Cited by 3 publications

References 18 publications

Isolation of 6-gingerol and semi-synthesis of 1,4-benzodiazepines derivatives: An in-situ pharmacokinetics properties, molecular docking and molecular dynamics simulation assessments

Isolation of 6-gingerol and semi-synthesis of 1,4-benzodiazepines derivatives: An in-situ pharmacokinetics properties, molecular docking and molecular dynamics simulation assessments

GC-MS analysis of an ethanolic extract of Ocimum species: a network pharmacology analysis insight towards obesity

Synthesis of Quercetin–Iron (Fe) Complex and Its In Silico and In Vitro Confirmation Towards Antibacterial Activity

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