Targeting Nuclear Receptors with Marine Natural Products

Yang, Chunyan; Li, Qianrong; Li, Yong

doi:10.3390/md12020601

Cited by 20 publications

(26 citation statements)

References 225 publications

(231 reference statements)

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“…The results of the present study demonstrated that the three leads showed high bioactivity scores as KI, NRL and EIs (score>0.00) with Astragalin and Quercetin 7 being the most active as EIs (0.41 and 0.42, respectively) and Quercetin being the most active as KI and NRL (Table II). Nuclear receptors (NRs) are important pharmaceutical targets because they are key regulators of many metabolic and inflammatory diseases, including diabetes, dyslipidemia, cirrhosis and fibrosis (Yang, Li, Li, 2014). Based on our results, quercetin, qstragalin and quercetin 7 could be envisioned as potential ligands for NRs representing interesting and promising therapeutic alternatives to cure relevant disorders.…”

Section: Molecular Parametersmentioning

confidence: 99%

In silico pharmacodynamics, toxicity profile and biological activities of the Saharan medicinal plant Limoniastrum feei

Ouahab

2017

Braz. J. Pharm. Sci.

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In-silico study was performed to find the pharmacodynamics, toxicity profiles and biological activities of three phytochemicals isolated from Limoniastrum feei (Plumbagenaceae). Online pharmacokinetic tools were used to estimate the potential of Quercetin, kaempferol-3-O-β-D-glucopyranoside (astragalin) and quercitin-7-O-β-D-glucopyranoside as specific drugs. Then the prediction of potential targets of these compounds were investigated using PharmMapper. Auto-Dock 4.0 software was used to investigate the different interactions of these compounds with the targets predicted earlier. The permeability of quercetin was found within the range stated by Lipinski ‫׳‬s rule of five. Hematopoietic prostaglandin (PG) D synthase (HPGDS), farnesyl diphosphate synthetase (FPPS) and the deoxycytidine kinase (DCK) were potential targets for quercetin, astragalin and quercetin 7, respectively. Quercetin showed antiallergic and anti-inflammatory activity, while astragalin and quercetin 7 were predicted to have anticancer activities. The activity of Astragalin appeared to be mediated by FPPS inhibition. The inhibition of DCK was predicted as the anticancer mechanisms of quercetin 7. The compounds showed interesting interactions and satisfactory binding energies when docked into their targets. These compounds are proposed to have activities against a variety of human aliments such as allergy, tumors, muscular dystrophy, and diabetic cataracts.

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Section: Molecular Parametersmentioning

confidence: 99%

In silico pharmacodynamics, toxicity profile and biological activities of the Saharan medicinal plant Limoniastrum feei

Ouahab

2017

Braz. J. Pharm. Sci.

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“…Several reviews concerning the sponge-derived bioactive marine alkaloids with future pharmaceutical applications have been published in the last decades [3, 26-31]. Sponges produce a plethora of chemical compounds with widely varying carbon skeletons.…”

Section: Introductionmentioning

confidence: 99%

Recent advances in isolation, synthesis, and evaluation of bioactivities of bispyrroloquinone alkaloids of marine origin

Nijampatnam

Dutta

Velu

2015

Chinese Journal of Natural Medicines

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The ocean continues to provide a plethora of unique scaffolds capable of remarkable biological applications. A large number of pyrroloiminoquinone alkaloids, including discorhabdins, epinardins, batzellines, makaluvamines, and veiutamine have already been isolated from marine organisms. A class of pyrroloiminoquinone-related alkaloids known as bispyrroloquinones is the focus of this review. This family of marine alkaloids, which contain an aryl substituted bispyrroloquinone ring system, includes three subclasses of alkaloids namely, wakayin, tsitsikammamines A-B and zyzzyanones A-D. Both wakayin and the tsitsikammamines contain a tetracyclic fused bispyrroloiminoquinone ring system, while zyzzyanones contain a fused tricyclic bispyrroloquinone ring system. The unique chemical structures of these marine natural products and their diverse biological properties, including antifungal and antimicrobial activity, as well as the potent, albeit generally nonspecific and universal cytotoxicities, have attracted great interest of synthetic chemists over the past three decades. Tsitsikammamines, wakayin, and several of their analogues show inhibition of topoisomerases. One additional possible mechanism of anticancer activity of tsitsikammamines analogues that was discovered recently is through the inhibition of indoleamine 2,3-dioxygenase, an enzyme involved in tumoral immune resistance. This review discusses the isolation, synthesis, and bioactivities of bispyrroloquinone alkaloids and their analogues.

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“…The scores greater than 0.00 indicate high activity, between 0.00 to -0.5 indicate moderate activity and less than -0.5 indicate inactivity 27 . Nuclear receptors (NRs) are significant pharmaceutical targets, since, they are the main regulators of several metabolic and inflammatory diseases, including diabetes, dyslipidemia, cirrhosis and fibrosis 28 .…”

Section: Pdb 3e00 Is 29a Crystal Structure Of Methylisocitratelyase mentioning

confidence: 99%

Untitled

2017

IJPSR

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ABSTRACT:In this research work, a well established method was used to synthesize of stannane of 2, 4-hexadienoic acid and its characterization was carried using ultraviolet (UV)-visible and 1 H NMR (nuclear magnetic resonance). Our research aimed at developing a potent multitarget drug which could act as antibacterial agent and also peroxisome proliferator-activated receptor gamma (PPAR γ) agonists that is having the potential to activate the PPAR γ. In vitro antibacterial study was carried out against, Staphylococcus aureus (gram positive) and Escherichia coli 1610 (gram negative) using 'well diffusion method'. It was followed by in silico docking studies, using computational software iGemDock v2.1 tool and its effect on glycemic and lipid parameter was also studied. Pharmacokinetic properties were studied using pkCSM software developed by the University of Cambridge. Drug likeness study and all the specifications were tested with the help of Molinspiration Molecule Viewer software available online. It was observed that the stannane of 2, 4-hexadienoic acid inhibited the bacterial growth of Staphylococcus aureus (gram positive) and Escherichia coli 1610 (gram negative). The complex has shown good docking results on almost all the receptors, with interaction supporting the fitting of the drug to the target molecules. The novel complex has shown good antibacterial activity both in vitro and in in silico studies. It was also found to be a potent PPAR γ agonist. The Organotinsorbate did not contravene the 'Lipinski‫׳‬s rule of five' hence it has the prospective for ultimate development as oral agents.

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Targeting Nuclear Receptors with Marine Natural Products

Cited by 20 publications

References 225 publications

In silico pharmacodynamics, toxicity profile and biological activities of the Saharan medicinal plant Limoniastrum feei

In silico pharmacodynamics, toxicity profile and biological activities of the Saharan medicinal plant Limoniastrum feei

Recent advances in isolation, synthesis, and evaluation of bioactivities of bispyrroloquinone alkaloids of marine origin

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