In silico analysis of quercetin as potential anti-cancer agents

Anwar, Sahar S.; Al-Shmgani, Hanady S.; Tawfeeq, Amer T.; Sulaiman, Ghassan M.; Al-Mousawi, Yasmin H.

doi:10.1016/j.matpr.2020.12.573

Cited by 6 publications

(4 citation statements)

References 11 publications

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“…Te current results are consistent with the fndings of the spectrophotometric (TPC and TFC) and spectroscopical analysis (LC-MS) of the plant ethanolic extract, which revealed the presence of a considerable amount of the phenolic constituents measured at 18.69% of the total plant constituents that appeared in the LC-MS chromatogram. In addition, the antioxidant efect of polyphenols specially, favonoids are well-known in literature [61,62]. Te results showed 265.55, 513.32, and 27.10 μM Trolox eq/mg of extract in the ABTS, ORAC, and FRAP assays, respectively (Table 1).…”

Section: Spectroscopic Analysis Of Plant Constituentsmentioning

confidence: 88%

Phytochemical Constituents and Biological Activities of Jasonia glutinosa L.: The First Report for the Plant Growing in North Africa

Mohammed

Abdulkarim

Alamami

et al. 2022

Journal of Chemistry

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Jasonia glutinosa (rock tea), also known as Chiliadenus glutinosa Cass., is a medicinal plant growing in the Mediterranean Basin. It is used for the treatment of depression, gastrointestinal complaints, inflammations, appendicitis, colds, and respiratory disorders. The current study is the first report for the plant species growing in Libya and aims to investigate the phytochemical constituents, antioxidant, cytotoxic, and antimicrobial activities of the plant’s aqueous ethanolic extract. The phytochemical investigation was conducted by the spectrophotometric quantitative assay and the LC-MS analysis. The analysis revealed the presence of 14.67 and 46.72 mg/g of the total phenolics and flavonoids equivalent to gallic acid and rutin, respectively. A total of thirty compounds of phenolic acids and flavonoids were identified by the LC-MS analysis, with a total relative percentage of 18.69%. The analysis revealed the dominance of methoxylated flavonoids and cinnamic acid derivatives, including caffeoylquinic acids. The in vitro antioxidant assays showed 265.55, 513.32, and 27.10 μM Trolox eq/mg of extract in the ABTS, ORAC, and FRAP assays, respectively. Cancer cell growth inhibitions of 9.23, 11.42, and 34.01% at a concentration of 100 μg/mL against MCF-7, HepG2, and PANC-1 cell lines were obtained, which is considered a weak cytotoxic effect when compared to the standard anticancer agent, doxorubicin (DOX). No antimicrobial activity was noticed for the plant extract against all tested microorganisms, i.e., Escherichia coli, Bacillus subtilis, Staphylococcus aureus, Salmonella typhimurium, Candida albicans, and Saccharomyces cerevisiae. The weak antimicrobial effect of the plant did not support the claim of traditional use of the plant as an antimicrobial agent.

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Section: Spectroscopic Analysis Of Plant Constituentsmentioning

confidence: 88%

Phytochemical Constituents and Biological Activities of Jasonia glutinosa L.: The First Report for the Plant Growing in North Africa

Mohammed

Abdulkarim

Alamami

et al. 2022

Journal of Chemistry

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“…In silico studies are valued tools in pharmaceutical research, as they enable scientists to hypothesize about molecules for a particular disease [ 31 ]. Furthermore, in silico parameters have a significant role in the estimation of the biological activity in the human body [ 32 , 33 ].…”

Section: Discussionmentioning

confidence: 99%

In Vitro Approaches to Explore the Anticancer Potential of One Natural Flavanone and Four Derivatives Loaded in Biopolymeric Nanoparticles for Application in Topical Delivery Treatments

et al. 2023

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The increasing number of skin cancer cases worldwide and the adverse side effects of current treatments have led to the search for new anticancer agents. In this present work, the anticancer potential of the natural flavanone 1, extracted from Eysenhardtia platycarpa, and four flavanone derivatives 1a–d obtained by different reactions from 1 was investigated by an in silico study and through cytotoxicity assays in melanoma (M21), cervical cancer (HeLa) cell lines and in a non-tumor cell line (HEK-293). The free compounds and compounds loaded in biopolymeric nanoparticles (PLGA NPs 1, 1a–d) were assayed. A structure–activity study (SAR) was performed to establish the main physicochemical characteristics that most contribute to cytotoxicity. Finally, ex vivo permeation studies were performed to assess the suitability of the flavanones for topical administration. Results revealed that most of the studied flavanones and their respective PLGA NPs inhibited cell growth depending on the concentration; 1b should be highlighted. The descriptors of the energetic factor were those that played a more important role in cellular activity. PLGA NPs demonstrated their ability to penetrate (Qp of 17.84−118.29 µg) and be retained (Qr of 0.01−1.44 g/gskin/cm2) in the skin and to exert their action for longer. The results of the study suggest that flavanones could offer many opportunities as a future anticancer topical adjuvant treatment.

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“…Many studies have revealed that flavonoids can have potent anti-inflammatory and anticancer effects. By focusing on many cancer pathways, including cell metabolism, migration, adhesion, and apoptosis, flavonoids have been shown to reduce carcinogenesis in different cancer cell types [7,8]. Galangin (3,5,7-trihydroxyflavone, a polyphenol flavonoid is predominantly obtained from several medicinal plants, has been shown to have good pharmacological effects, such as anti-inflammatory, different organ body protection, antidiabetic, and anticancer effects.…”

Section: Introductionmentioning

confidence: 99%

Galangin-Loaded Gold Nanoparticles: Molecular Mechanisms of Antiangiogenesis Properties in Breast Cancer

Qaddoori

Al-Shmgani

2023

International Journal of Breast Cancer

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Angiogenesis is important for tissue during normal physiological processes as well as in a number of diseases, including cancer. Drug resistance is one of the largest difficulties to antiangiogenesis therapy. Due to their lower cytotoxicity and stronger pharmacological advantage, phytochemical anticancer medications have a number of advantages over chemical chemotherapeutic drugs. In the current study, the effectiveness of AuNPs, AuNPs-GAL, and free galangin as an antiangiogenesis agent was evaluated. Different physicochemical and molecular approaches have been used including the characterization, cytotoxicity, scratch wound healing assay, and gene expression of VEGF and ERKI in MCF-7 and MDA-MB-231 human breast cancer cell line. Results obtained from MTT assay show cell growth reduction in a time- and dose-dependent aspect; also, in comparison to individual treatment, a synergistic impact was indicated. CAM assay results demonstrated galangin-gold nanoparticle capacity to suppress angiogenesis in chick embryo. Additionally, altering VEGF and ERKI gene expression was recorded. Taken together, all the results can conclude that galangin-conjugated gold nanoparticles can be a promising antiangiogenesis supplemental drug in breast cancer treatment.

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In silico analysis of quercetin as potential anti-cancer agents

Cited by 6 publications

References 11 publications

Phytochemical Constituents and Biological Activities of Jasonia glutinosa L.: The First Report for the Plant Growing in North Africa

Phytochemical Constituents and Biological Activities of Jasonia glutinosa L.: The First Report for the Plant Growing in North Africa

In Vitro Approaches to Explore the Anticancer Potential of One Natural Flavanone and Four Derivatives Loaded in Biopolymeric Nanoparticles for Application in Topical Delivery Treatments

Galangin-Loaded Gold Nanoparticles: Molecular Mechanisms of Antiangiogenesis Properties in Breast Cancer

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