Relevant bibliographies by topics / Multiple flavonoid docking

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Academic literature on the topic 'Multiple flavonoid docking'

Author: Grafiati
Published: 5 June 2025
Last updated: 2 August 2025

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Journal articles on the topic "Multiple flavonoid docking"

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Harine Alagar Sampath, Mohanapreeya Venkatraman, Pramodha Janakiraman, and Mathangi Ganapathy. "Multiple flavonoid docking studies for checking the anti-diabetic activity of Annona species." World Journal of Biology Pharmacy and Health Sciences 17, no. 3 (2024): 186–91. http://dx.doi.org/10.30574/wjbphs.2024.17.3.0111.

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Diabetes mellitus (T2DM) is one of the world’s most prevalent metabolic disorders with a huge demand for both affordable and effective drugs. Apart from conventional drugs a large number of plant products and their secondary metabolites have been found to possess anti-diabetic properties; among these flavonoids have been reported by recent scientific studies to be one of the main functional compounds against T2DM. Hence our main area of interest was exploring the anti-diabetic potential of various flavonoids present in Annona species using multiple flavonoid docking. Flavonoids predominant in
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Harine, Alagar Sampath, Venkatraman Mohanapreeya, Janakiraman Pramodha, and Ganapathy Mathangi. "Multiple flavonoid docking studies for checking the anti-diabetic activity of Annona species." World Journal of Biology Pharmacy and Health Sciences 17, no. 3 (2024): 186–91. https://doi.org/10.5281/zenodo.11363042.

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<em>Diabetes mellitus&nbsp;</em>(T2DM) is one of the world&rsquo;s most prevalent metabolic disorders with a huge demand for both affordable and effective drugs. Apart from conventional drugs a large number of plant products and their secondary metabolites have been found to possess anti-diabetic properties; among these flavonoids have been reported by recent scientific studies to be one of the main functional compounds against T2DM. Hence our main area of interest was exploring the anti-diabetic potential of various flavonoids present in&nbsp;<em>Annona species</em> using multiple flavonoid d
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Yasir, Muhammad, Jinyoung Park, Eun-Taek Han, Jin-Hee Han, Won Sun Park, and Wanjoo Chun. "Investigating the Inhibitory Potential of Flavonoids against Aldose Reductase: Insights from Molecular Docking, Dynamics Simulations, and gmx_MMPBSA Analysis." Current Issues in Molecular Biology 46, no. 10 (2024): 11503–18. http://dx.doi.org/10.3390/cimb46100683.

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Diabetes mellitus (DM) is a complex metabolic disorder characterized by chronic hyperglycemia, with aldose reductase playing a critical role in the pathophysiology of diabetic complications. This study aimed to investigate the efficacy of flavonoid compounds as potential aldose reductase inhibitors using a combination of molecular docking and molecular dynamics (MD) simulations. The three-dimensional structures of representative flavonoid compounds were obtained from PubChem, minimized, and docked against aldose reductase using Discovery Studio’s CDocker module. The top 10 compounds Daidzein,
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Khalil, Hany Ezzat, Turki Saeed Aldakheel, Anas AlAhmed, Promise Madu Emeka, and Mahmoud Kandeel. "Anti-proliferative activity of leaves of Launaea capitata Asteraceae: Phytochemical, cytotoxicity and in silico studies." Tropical Journal of Pharmaceutical Research 19, no. 10 (2020): 2129–36. http://dx.doi.org/10.4314/tjpr.v19i10.17.

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Purpose: To investigate the phytochemical contents of Launaea capitata (L. capitate) and its potential cytotoxic activity. Also, to examine its molecular modeling by docking of the isolated compounds.Methods: L. capitata was methanol-extracted and successively fractionated followed by determination of the total phenolic and flavonoid contents. Major constituents were isolated and purified. 3-(4, 5- Dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) cytotoxicity assays were conducted for all fractions. In silico studies were conducted using four anticancer target kinases, namely, p
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Fernandes, Adriana de Oliveira, Valéria Vieira Moura Paixão, Yria Jaine Andrade Santos, et al. "Identification of Pharmacophore Groups with Antimalarial Potential in Flavonoids by QSAR-Based Virtual Screening." Drugs and Drug Candidates 4, no. 3 (2025): 33. https://doi.org/10.3390/ddc4030033.

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Background/Objectives: Severe malaria, mainly caused by Plasmodium falciparum, remains a significant therapeutic challenge due to increasing drug resistance and adverse effects. Flavonoids, known for their wide range of bioactivities, offer a promising route for antimalarial drug discovery. The aim of this study was to elucidate key structural features associated with antimalarial activity in flavonoids and to develop accurate, interpretable predictive models. Methods: Curated databases of flavonoid structures and their activity against P. falciparum strains and enzymes were constructed. Molec
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Hao, Jia, Lifeng Han, Yi Zhang, and Tao Wang. "Docking Studies on Potential Mechanisms for Decreasing Insulin Resistance by the Tangzhiqing Herbal Formula." Evidence-Based Complementary and Alternative Medicine 2020 (October 9, 2020): 1–11. http://dx.doi.org/10.1155/2020/1057648.

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Insulin resistance (IR) is considered as one of the principal pathways of type 2 diabetes mellitus pathogenesis and is associated with a series of abnormal signaling pathways. Tangzhiqing (TZQ) herbal formula is a well-known antidiabetic traditional Chinese medicine and has been used to treat type 2 diabetes mellitus and prediabetes for many years in China. We selected 13 natural products as representative compounds of the main active components in TZQ to investigate the interaction of these natural products with key signal proteins associated with IR using two different docking calculations.
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D’Arrigo, Giulia, Eleonora Gianquinto, Giulia Rossetti, Gabriele Cruciani, Stefano Lorenzetti, and Francesca Spyrakis. "Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction." Molecules 26, no. 6 (2021): 1613. http://dx.doi.org/10.3390/molecules26061613.

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Flavonoids are plant bioactives that are recognized as hormone-like polyphenols because of their similarity to the endogenous sex steroids 17β-estradiol and testosterone, and to their estrogen- and androgen-like activity. Most efforts to verify flavonoid binding to nuclear receptors (NRs) and explain their action have been focused on ERα, while less attention has been paid to other nuclear and non-nuclear membrane androgen and estrogen receptors. Here, we investigate six flavonoids (apigenin, genistein, luteolin, naringenin, quercetin, and resveratrol) that are widely present in fruits and veg
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de Paula, Heberth, Fernanda Souza, Lara Ferreira та ін. "Semisynthetic Flavonoids as GSK-3β Inhibitors: Computational Methods and Enzymatic Assay". Targets 3, № 2 (2025): 13. https://doi.org/10.3390/targets3020013.

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Glycogen synthase kinase-3 beta (GSK-3β) plays a crucial role in multiple cellular processes and is implicated in different types of cancers and neurological disorders, including Alzheimer’s disease. Despite extensive efforts to develop novel GSK-3β inhibitors, the discovery of potent and selective lead compounds remains a challenge. In this study, we evaluated the GSK-3β inhibitory potential of semisynthetic flavonoid derivatives, which exhibited sub-micromolar activity. To gain further insights, we employed molecular docking, molecular dynamics simulations, and pharmacokinetic profile predic
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Yang, Ting, Zichen Yang, Fei Pan та ін. "Construction of an MLR-QSAR Model Based on Dietary Flavonoids and Screening of Natural α-Glucosidase Inhibitors". Foods 11, № 24 (2022): 4046. http://dx.doi.org/10.3390/foods11244046.

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Postprandial hyperglycemia can be reduced by inhibiting α-glucosidase activity. Common α-glucosidase inhibitors such as acarbose may have various side effects. Therefore, it is important to find natural products that are non-toxic and have high α-glucosidase-inhibitory activity. In the present study, a comprehensive computational analysis of 27 dietary flavonoid compounds with α-glucosidase-inhibitory activity was performed. These included flavonoids, flavanones, isoflavonoids, dihydrochalcone, flavan-3-ols, and anthocyanins. Firstly, molecular fingerprint similarity clustering analysis was pe
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Nugraha, Sony Eka. "Exploring the potential of Beta Vulgaris L. Against thrombocytopenia: in vitro, in silico, phytochemicals, and antioxidant analysis." Journal of Medical pharmaceutical and allied sciences 13, no. 2 (2024): 6464–71. http://dx.doi.org/10.55522/jmpas.v13i2.5958.

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The purpose of this study was to assess anti- thrombocytopenia of beetroot extract using both in vitro and in silico methods. Additionally, antioxidant capacity, phenolic content, and flavonoid content of beetroot were determined. The extraction procedure was optimized by reflux method, the extracts obtained were examined to determine the Total Phenolic Content (TPC) and Total Flavonoid Content (TFC) using the Folin-Ciocalteu colorimetric and aluminum chloride methods, respectively. Furthermore, antioxidant capacity was assessed using the DPPH method, while betanin concentration was determined
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Book chapters on the topic "Multiple flavonoid docking"

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Satapathy, Prathamanjali, Vijaya Tartte, and Y. T. Rajesh Babu. "Medicinal plants as prospective sources of antiviral agents: A comprehensive review." In Deep Science Publishing. Deep Science Publishing, 2025. https://doi.org/10.70593/978-93-49307-18-6_3.

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The global prevalence of viral diseases, including emerging threats like COVID-19 and persistent infections like HIV, underscores the need for effective antiviral solutions. While synthetic drugs remain crucial, challenges like resistance, toxicity, and cost necessitate alternative approaches. Medicinal plants, long used in traditional medicine, offer a rich source of antiviral compounds such as alkaloids and flavonoids, targeting multiple stages of the viral life cycle. This review highlights the antiviral potential of 20 plants, focusing on mechanisms like entry inhibition, replication disru
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