Identification, ADMET evaluation and molecular docking analysis of Phytosterols from Banaba (Lagerstroemia speciosa (L.)Pers) seed extract against breast cancer

Raju, Liju; Lipin, Raju; Rajkumar, Eswaran

doi:10.1007/s40203-021-00104-y

Cited by 9 publications

(4 citation statements)

References 26 publications

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“…Among the M. pulegium extract constituents, phytosterols including cholesterol margarate, stigmast-5-en-3-ol, 19-nor-4-androstenediol, and androstan-17-one ( Table 1 ), can play an important biological role in protection against various cancers of the stomach, breast, prostate, lung, liver, and ovaries, as well as regulation of sugar uptake in diabetics, as mentioned by previous researchers [ 28 , 29 , 30 ]. Raju et al [ 31 ] documented the safe properties (non-carcinogenic, non-poisonous, and non-mutagenic) of these phytosterols, and the anti-hypercholesterolemic qualities of stigmast-5-en-3-ol have also been reported [ 32 ]. Furthermore, the obtained results showed the presence of other compounds in M. pulegium extract, namely pulegone-1,2-epoxide (oxygenated terpene), which has vasorelaxant activity according to Lima et al [ 33 ].…”

Section: Resultsmentioning

confidence: 99%

Molecular Interaction Studies and Phytochemical Characterization of Mentha pulegium L. Constituents with Multiple Biological Utilities as Antioxidant, Antimicrobial, Anticancer and Anti-Hemolytic Agents

et al. 2022

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Multiple biological functions of Mentha pulegium extract were evaluated in the current work. Phytochemical components of the M. pulegium extract were detected by Gas Chromatography-Mass Spectrometry (GC-MS) and High-performance liquid chromatography (HPLC). Moreover, M. pulegium extract was estimated for antioxidant potential by 2,2-Diphenyl-1-picryl-hydrazyl-hydrate (DPPH) free radical scavenging, antimicrobial activity by well diffusion, and anticoagulant activity via prothrombin time (PT) and activated partial thromboplastin time (APTT). GC-MS analysis detected compounds including cholesterol margarate, stigmast-5-en-3-ol, 19-nor-4-androstenediol, androstan-17-one, pulegone-1,2-epoxide, isochiapin B, dotriacontane, hexadecanoic acid and neophytadiene. Chrysoeriol (15.36 µg/mL) was followed by kaempferol (11.14 µg/mL) and 7-OH flavone (10.14 µg/mL), catechin (4.11 µg/mL), hisperdin (3.05 µg/mL), and luteolin (2.36 µg/mL) were detected by HPLC as flavonoids, in addition to ferulic (13.19 µg/mL), cinnamic (12.69 µg/mL), caffeic (11.45 µg/mL), pyrogallol (9.36 µg/mL), p-coumaric (5.06 µg/mL) and salicylic (4.17 µg/mL) as phenolics. Antioxidant activity was detected with IC50 18 µg/mL, hemolysis inhibition was recorded as 79.8% at 1000 μg/mL, and PT and APTT were at 21.5 s and 49.5 s, respectively, at 50 μg/mL of M. pulegium extract. The acute toxicity of M. pulegium extract was recorded against PC3 (IC50 97.99 µg/mL) and MCF7 (IC50 80.21 µg/mL). Antimicrobial activity of M. pulegium extract was documented against Bacillus subtilis, Escherichia coli, Pseudomonasaureus, Candida albicans, Pseudomonas aeruginosa, but not against black fungus Mucor circinelloides. Molecular docking was applied using MOE (Molecular Operating Environment) to explain the biological activity of neophytadiene, luteolin, chrysoeriol and kaempferol. These compounds could be suitable for the development of novel pharmacological agents for treatment of cancer and bacterial infections.

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Section: Resultsmentioning

confidence: 99%

Molecular Interaction Studies and Phytochemical Characterization of Mentha pulegium L. Constituents with Multiple Biological Utilities as Antioxidant, Antimicrobial, Anticancer and Anti-Hemolytic Agents

et al. 2022

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“… 29 , 30 Phytosterols administered as add-on therapy at a dose of 2 g per day have demonstrated their capacity to lower LDL-cholesterol in patients with dyslipidemia, and hence, are suggested in high-risk patients who have failed by statins. 3 The principal mechanism of phytosterols in lowering LDL-cholesterol levels is by (1) reducing the intestinal absorption of cholesterol similar to ezetimibe, 31 (2) decreasing the rate of cholesterol esterification in the enterocyte similar to statins, and (3) elevating the elimination of cholesterol via transintestinal excretion similar to the fibrates. 32 …”

Section: Discussionmentioning

confidence: 99%

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confidence: 99%

Molecular Docking Study of Phytosterols in Lygodium microphyllum Towards SIRT1 and AMPK, the in vitro Brine Shrimp Toxicity Test, and the Phenols and Sterols Levels in the Extract

Anggreini,

Kuncoro,

Sumiwi

et al. 2023

JEP

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Background Lygodium microphyllum is a fern plant with various pharmacological activities, and phytosterols were reported contained in the n-hexane and ethyl acetate extract of this plant. Phytosterols are known to inhibit steatosis, oxidative stress, and inflammation. Sirtuin 1 (SIRT1) and adenosine monophosphate-activated protein kinase (AMPK) are the key proteins that control lipogenesis. However, information about L. microphyllum on SIRT1 and AMPK is still lacking. Purpose This study aims to investigate the binding mode of phytosterols in L. microphyllum extract towards AMPK and SIRT1, and the toxicity of the extract against brine shrimp ( Artemia salina ) larvae, and to determine the phenols and sterols levels in the extract. Methods The molecular docking was performed towards SIRT1 and AMPK using AutoDock v4.2.6, the toxicity of the extract was assayed against brine shrimp ( Artemia salina ) larvae, and the phytosterols were analyzed by employing a thin layer chromatography densitometry, and the total phenols were by spectrophotometry. Results The molecular docking study revealed that β-sitosterol and stigmasterol could occupy the active allosteric-binding site of SIRT1 and AMPK by binding to important residues similar to the protein’s activators. The cold extraction of the plant yields 15.86% w/w. Phytochemical screening revealed the presence of phenols, steroids, flavonoids, alkaloids, and saponins. The total phenols are equivalent to 126 mg gallic acid (GAE)/g dry extract, the total sterols are 954.04 µg/g, and the β-sitosterol level is 283.55 µg/g. The LC 50 value of the extract towards A. salina larvae is 203.704 ppm. Conclusion Lygodium microphyllum extract may have the potential to be further explored for its pharmacology activities, particularly in the discovery of plant-based anti-dyslipidemic drug candidates. However, further studies are needed to confirm their roles in alleviating lipid disorders.

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“…The alkaloids are also reported to have muscle relaxant properties, antioxidant activity, anticancer activity, antimicrobial and amoebicidal activity [17], analgesics, anesthetics, antimalarials, antihypertensive agents, stimulants, spasmolysis agents, antiarrhythmic agents, antiasthma therapeutics, vasodilators. Plant saponins are informed to slow cholesterol captivation in experimental animals and as a result lower plasma cholesterol concentration [18].…”

Section: Screening Phytochemistrymentioning

confidence: 99%

Evaluation of the invitro antidiabetic and anti-cholesterols activity of selected plant extract

Agustini,

Asmaliyah,

Hadi

et al. 2024

IOP Conf. Ser.: Earth Environ. Sci.

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Diabetic and hypercholesterolemia are the most common metabolic disorders in the world. The purpose of the study was to assess the anti-diabetic and anti-cholesterol effect of water leaf extract of Lagerstroemia speciosa, Cinnamomum parthenoxylon, and Oroxylum indicum in vitro. Those three plants are often used by the local community to treat diabetes and hypercholesterol. The water extract’s active ingredients are steroids and flavonoids. The flavonoid content was reported to be 51.89, 110.92, and 63.41 mg QE/g respectively. In vitro studies on hemoglobin glycosylation, showed that 30 ppm aqueous leaf extract of L. speciosa, C. parthenoxylon, and O. indicum showed considerable inhibition of hemoglobin glycosylation by 12.06 %, 33.25%, and 73.96%, compared to a positive control (metformin) was 30.6 %. The in vitro anti-cholesterol properties of O. indicum and C. parthenoxylon could lower cholesterol by 33% compared to simvastatin by 33.104%. According to the study’s findings, the water leaf extracts of O. indicum and C. parthenoxylon have excellent pharmaceutical potential and might be used as herbal remedy to manage diabetes and cholesterol. To verify this work, more in vitro and in vivo research is required.

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Identification, ADMET evaluation and molecular docking analysis of Phytosterols from Banaba (Lagerstroemia speciosa (L.)Pers) seed extract against breast cancer

Cited by 9 publications

References 26 publications

Molecular Interaction Studies and Phytochemical Characterization of Mentha pulegium L. Constituents with Multiple Biological Utilities as Antioxidant, Antimicrobial, Anticancer and Anti-Hemolytic Agents

Molecular Interaction Studies and Phytochemical Characterization of Mentha pulegium L. Constituents with Multiple Biological Utilities as Antioxidant, Antimicrobial, Anticancer and Anti-Hemolytic Agents

Molecular Docking Study of Phytosterols in Lygodium microphyllum Towards SIRT1 and AMPK, the in vitro Brine Shrimp Toxicity Test, and the Phenols and Sterols Levels in the Extract

Evaluation of the invitro antidiabetic and anti-cholesterols activity of selected plant extract

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