Effect of Glycosin alkaloid from Rhizophora apiculata in non-insulin dependent diabetic rats and its mechanism of action: In vivo and in silico studies

Selvaraj, Gurudeeban; Kaliamurthi, Satyavani; Thirugnasambandan, Ramanathan

doi:10.1016/j.phymed.2016.03.004

Cited by 39 publications

(22 citation statements)

References 43 publications

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“…These results indicated that 245 could act as antihyperglycemic agent, associated with antihyperlipidemia, and possibility function as a ligand for proteins that are targets for antidiabetic drugs. 208 Rutaecarpine also enhanced the blood lipid profile, mitigated inflammation, and improved kidney, liver, and pancreas pathology status of T2DM rats. 209 When incubating 24 hr with this alkaloid (20-180 mol/L), production of IL-1, IL-6, and TNF-in cultured IR-PSMC cells induced by palmitic acid significant decreased dose-dependently.…”

Section: Antidiabetic Activitymentioning

confidence: 89%

“…Compound 245 interacted with dipeptidyl peptidase‐IV, insulin receptor, protein tyrosine phosphatase 1B and PPARγ with good affinity and binding energy in a docking simulation. These results indicated that 245 could act as antihyperglycemic agent, associated with antihyperlipidemia, and possibility function as a ligand for proteins that are targets for antidiabetic drugs …”

Section: Biological Activities Of Quinoline and Quinazoline Alkaloidsmentioning

confidence: 92%

“…In 2016, Selvaraj and co‐workers isolated glycosin ( 245 ) (Figure ) from Rhizophora apiculata by bioassay guided fractionation and studied its antidiabetic effects and possible mechanism of action . In diabetic rats (induced by streptozotocin and nicotinamide) treated with 245 , blood‐glucose levels were significantly reduced and hepatic enzyme activities, as well as levels of urea and creatinine, were decreased.…”

Section: Biological Activities Of Quinoline and Quinazoline Alkaloidsmentioning

confidence: 99%

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Biologically active quinoline and quinazoline alkaloids part II

Shang

Morris‐Natschke

Yang

et al. 2018

Medicinal Research Reviews

152

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To follow-up on our prior Part I review, this Part II review summarizes and provides updated literature on novel quinoline and quinazoline alkaloids isolated during the period of 2009-2016, together with the biological activity and the mechanisms of action of these classes of natural products. Over 200 molecules with a broad range of biological activities, including antitumor, antiparasitic and insecticidal, antibacterial and antifungal, cardioprotective, antiviral, anti-inflammatory, hepatoprotective, antioxidant, anti-asthma, antitussive, and other activities, are discussed. This survey should provide new clues or possibilities for the discovery of new and better drugs from the original naturally occurring quinoline and quinazoline alkaloids.

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Section: Antidiabetic Activitymentioning

confidence: 89%

Section: Biological Activities Of Quinoline and Quinazoline Alkaloidsmentioning

confidence: 92%

Section: Biological Activities Of Quinoline and Quinazoline Alkaloidsmentioning

confidence: 99%

See 1 more Smart Citation

Biologically active quinoline and quinazoline alkaloids part II

Shang

Morris‐Natschke

Yang

et al. 2018

Medicinal Research Reviews

152

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“…Glide XP (Schrödinger Release 2018-3: Glide, Schrödinger, LLC, New York, NY, 2018). The identified identified compounds were used in our previous study [18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34]. These compounds were docked into the active site of AURKA.…”

Section: Active Site Prediction and Molecular Dockingmentioning

confidence: 99%

“…A total of phytochemicals, including alkaloids, flavonoids, phenolic compounds, volatile compounds, and their derivatives were identified using liquid chromatography coupled with mass-spectroscopy [18,19], gas-chromatography coupled with mass-spectroscopy [20], and reverse phase high-performance liquid-chromatographic [21,22,23] techniques from different mangroves (Supporting Information, Table S1). Studies report that these phytochemicals demonstrate different therapeutic effects, such as antimicrobial and antioxidants [24] and anti-nociceptive [25], antidiabetic [19,26], anticancer [27], wound-healing properties [28,29], having elastase, and collagenase [30], cyclooxygenase 2 [31], dipeptidyl peptidase-4 [32], PPAR-γ [33] and alpha-ketoglutarate dependent dioxygenase FTO inhibitory action [34]. Currently available aurora inhibitors namely ZM447439, Hesperadin, and VX-680 possess some side effects like alopecia, anemia, dry skin and toxicity on the bone marrow [35,36].…”

Section: Introductionmentioning

confidence: 99%

Identification of Potent Inhibitors against Aurora Kinase A Using Molecular Docking and Molecular Dynamics Simulation Studies

Chinnasamy¹,

Selvaraj²,

Kaushik³

et al. 2019

Preprint

Self Cite

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Aurora kinase A (AURKA) is a normal cell proliferation-inducing enzyme encoded by AURKA gene, with over-expression observed in different types of malignancies. Hence, the goal is to find potential inhibitors against AURKA. In this study, molecular docking, Standard Precision and Extra Precision methods were employed. After the docking study, the ligands showed an extremely low binding score which suggested very high binding affinity of the ligands. Furthermore, Quantum polarized ligand docking (QPLD) was performed to predict the binding status of the molecules. Based on the binding affinity, the top four compounds were chosen for further analysis. The docked complexes were further analyzed in explicit water conditions using 100 ns molecular dynamics simulations and binding free energy calculation. Then, density functional theory (DFT) calculation was used to calculate the molecular properties of the molecules. Finally, systems biology experiments validated the molecular docking and molecular dynamics simulation studies and indicated that quercetin, kaempferol, luteolin and rutin could inhibit the AURKA. The results show that, these four molecules have high binding affinity to the AURKA and significant interactions (LEU139, GLU211and ALA213) were also identified with the hinge region of Aurora kinase A. Thus, LEU139, GLU211, and ALA213 were identified as the crucial protein mechanisms.

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Discovery of an Orally Active and Long‐Acting DPP‐IV Inhibitor through Property‐Based Optimization with an in Silico Biotransformation Prediction Tool

Zeng

Dou

et al. 2020

ChemMedChem

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Long‐acting dipeptidyl peptidase IV inhibitors have emerged as promising molecules for interventions for type 2 diabetes. Once weekly dosing brings greater patient compliance and more stable glycemic control. Starting from our previous highly potent compound with a thienoprimidine scaffold, which is unfortunately severely hit by hepatic biotransformation, a lead compound was rapidly generated by drawing on the experience of our previously discovered long‐acting compounds with pyrrolopyrimidine scaffold. With the aid of an in silico biotransformation prediction tool, (R)‐2‐((2‐(3‐aminopiperidin‐1‐yl)‐4‐oxo‐6‐(pyridin‐3‐yl)thieno[3,2‐d]pyrimidin‐3(4H)‐yl)methyl)‐4‐fluorobenzonitrile was eventually generated and determined to have high potency, a fine pharmacokinetic profile, and a long‐acting in vivo efficacy.

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Effect of Glycosin alkaloid from Rhizophora apiculata in non-insulin dependent diabetic rats and its mechanism of action: In vivo and in silico studies

Cited by 39 publications

References 43 publications

Biologically active quinoline and quinazoline alkaloids part II

Biologically active quinoline and quinazoline alkaloids part II

Identification of Potent Inhibitors against Aurora Kinase A Using Molecular Docking and Molecular Dynamics Simulation Studies

Discovery of an Orally Active and Long‐Acting DPP‐IV Inhibitor through Property‐Based Optimization with an in Silico Biotransformation Prediction Tool

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