Biologically guided isolation and ADMET profile of new factor Xa inhibitors fromGlycyrrhiza glabraroots usingin vitroandin silicoapproaches

Ibrahim, Reham S.; Mahrous, Rahma Sr.; El-Khair, Rasha M. Abu; Ross, Samir A.; Omar, Abdallah A.; Fathy, Hassan

doi:10.1039/d1ra00359c

Cited by 12 publications

(6 citation statements)

References 72 publications

(93 reference statements)

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“…Then, optimization through energy minimization and determination of ionization states at the specified pH (7 ± 2.0) were conducted. The default parameters were used for ADME prediction in the normal mode ( Ibrahim et al, 2021 ). The following ADME properties were predicted, including partition coefficient (QPlogP octanol/water), predicted aqueous solubility (QPlogS), predicted brain/blood partition coefficient (QPlogBB), gut–blood brain barrier (QPPCaco), predicted IC 50 value for blockage of HERGK + channels (QPlogHERG), and predicted value of binding to human serum albumin (QPlogKhsa) ( Toppo et al, 2021 ; Tan et al, 2021 ).…”

Section: Methodsmentioning

confidence: 99%

Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies

Gong

Zhu

et al. 2022

Front. Pharmacol.

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Section: Methodsmentioning

confidence: 99%

Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies

Gong

Zhu

et al. 2022

Front. Pharmacol.

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“…Glabridin is selective as the effective compound to inhibit FXa selectively with an IC 50 value of 35.3 μM. 137 Glabridin shows protective activity against SARS CoV-2 with an IC 50 value of 2.5 μM. 138 Clinically, S. aureus has been developed to acquire multidrug resistance, and it has become a critical pathogen in hospital and community infections.…”

Section: Toxicology and Clinical Applicationsmentioning

confidence: 99%

Review on the Diverse Biological Effects of Glabridin

Zhang¹,

Wu²,

Zhong³

et al. 2023

DDDT

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Glabridin is a prenylated isoflavan from the roots of Glycyrrhiza glabra Linne and has posed great impact on the areas of drug development and medicine, due to various biological properties such as anti-inflammation, anti-oxidation, anti-tumor, anti-microorganism, bone protection, cardiovascular protection, neuroprotection, hepatoprotection, anti-obesity, and anti-diabetes. Many signaling pathways, including NF-κB, MAPK, Wnt/β-catenin, ERα/SRC-1, PI3K/AKT, and AMPK, have been implicated in the regulatory activities of glabridin. Interestingly, glabridin has been considered as an inhibitor of tyrosinase, P-glycoprotein (P-gp), and CYP2E1 and an activator of peroxisome proliferator-activated receptor γ (PPARγ), although their molecular regulating mechanisms still need further investigation. However, poor water solubility and low bioavailability have greatly limited the clinical applications of glabridin. Hopefully, several effective strategies, such as nanoemulsions, microneedles, and smartPearls formulation, have been developed for improvement.

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“…In a very recent study on pharmacokinetic profiling of compound such as 7,4′-dihydroxyflavone, formononetin, 3-R-glabridin, isoliquiritigenin, liquiritin, naringenin 5-O-glucoside, 3,3′,4,4′-tetrahydroxy-2-methoxychalcone, liquiritinapioside, isoliquiritigenin-4′-O-β-D-apiosylglucoside and isoliquiritigenin-4-O-β-D-apiosylglucoside. It was found that out of them glabridin and 7-hydroxy-4′-methoxyisoflavone exhibits 100% of oral absorption to develop orally active direct FXa inhibitors ( Ibrahim et al, 2021 ).…”

Section: Pharmacokinetic Profilementioning

confidence: 99%

Revisiting liquorice (Glycyrrhiza glabra L.) as anti-inflammatory, antivirals and immunomodulators: Potential pharmacological applications with mechanistic insight.

et al. 2022

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Background Glycyrrhiza glabra L. ( G. glabra ) commonly known as liquorice is one of the highly exploited and utilized medicinal plant of the world. Since ancient times liquorice is considered as an auspicious and valuable traditional medicine across the world for treatment of various ailments. Method Several electronic online scientific databases such as Science Direct, PubMed, Scopus, Scifinder, Google Scholar, online books and reports were assessed for collecting information. All the collected information was classified into different sections to meet the objective of the paper. Results The electronic database search yielded 3908 articles from different countries. Out of them one ninety-eight articles published between 1956 and 2021 were included, corresponding to all detailed review on G. glabra and research on anti-inflammatories, antivirals and immunomodulatory through pre-clinical and clinical models. From all selective area of studies on G. glabra and its bioactive components it was established (including molecular mechanisms) as a suitable remedy as per the current requirement of pandemic situation arise through respiratory tract infection. Conclusion Different relevant studies have been thoroughly reviewed to gain an insight on utility of liquorice and its bioactive constituents for several pharmacological emphasizing anti-inflammatories, antivirals and immunomodulatory effects with special emphasized for prevention and treatment of COVID-19 infection with possible mechanism of action at molecular level. Proposed directions for future research are also outlined to encourage researchers to find out various mechanistic targets and useful value added products of liquorice in future investigations.

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Biologically guided isolation and ADMET profile of new factor Xa inhibitors fromGlycyrrhiza glabraroots usingin vitroandin silicoapproaches

Abstract: Biologically guided isolation of new factor Xa inhibitors from Glycyrrhiza glabra roots.

Cited by 12 publications

References 72 publications

Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies

Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies

Review on the Diverse Biological Effects of Glabridin

Revisiting liquorice (Glycyrrhiza glabra L.) as anti-inflammatory, antivirals and immunomodulators: Potential pharmacological applications with mechanistic insight.

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