Can We Predict the Isosymmetric Phase Transition? Application of DFT Calculations to Study the Pressure Induced Transformation of Chlorothiazide

Isosymmetric structural phase transition (IPT, type 0), in which there are no changes in the occupation of Wyckoff positions, the number of atoms in the unit cell, and the space group symmetry, is relatively uncommon. Chlorothiazide, a diuretic agent with a secondary function as an antihypertensive, has been proven to undergo pressure-induced IPT of Form I to Form II at 4.2 GPa. For that reason, it has been chosen as a model compound in this study to determine if IPT can be predicted in silico using periodic DFT calculations. The transformation of Form II into Form I, occurring under decompression, was observed in geometry optimization calculations. However, the reverse transition was not detected, although the calculated differences in the DFT energies and thermodynamic parameters indicated that Form II should be more stable at increased pressure. Finally, the IPT was successfully simulated using ab initio molecular dynamics calculations.

Antioxidant and Antiproliferative Activity of the Ethanolic Extract of Equisetum myriochaetum and Molecular Docking of Its Main Metabolites (Apigenin, Kaempferol, and Quercetin) on β-Tubulin

Equisetum myriochaetum is a semi-aquatic plant found on riverbanks that is commonly used in traditional medicine as a diuretic agent. Additionally, the genus Equisetum stands out for its content of the flavonoid kaempferol, a well-known antiproliferative agent. Therefore, in this study, E. myriochaetum ethanolic extract was tested in vitro against a cervical cancer cell line (SiHa). Additionally, the antioxidative activity was evaluated through a 2,2-diphenyl-1-picrilhidrazil (DPPH) assay. Finally, a molecular docking analysis of apigenin, kaempferol, and quercetin on the active site of β-tubulin was performed to investigate their potential mechanism of action. All fractions of E. myriochaetum ethanolic extract showed antioxidative activity. Fraction 14 displayed an antiproliferative capacity with a half maximal inhibitory concentration (IC50) value of 6.78 μg/mL against SiHa cells.

Involvement of Muscarinic Receptors in Hypotensive and Diuretic Effects of Aqueous Soluble Fraction from Asphodelus tenuifolius Cav.

Background. Asphodelus tenuifolius Cav. (Asphodelaceae) is widely used in Pakistan traditional medicine as a hypotensive and diuretic agent. Despite the cardioprotective effects described for A. tenuifolius, the mechanisms involved in its probable hypotensive and diuretic effects have never been evaluated. Firstly, different extracts from A. tenuifolius seeds were obtained, and their antioxidant profiles and chemical constituents by LC-DAD-were determined, including molecular networking by the GNPS platform. Then, to evaluate changes in blood pressure, different groups of anesthetized normotensive rats were intravenously treated with the crude extract (AT-Cr, 1–50 mg/kg), aqueous (AS-AT, 1–25 mg/kg), n-butanol (BS-AT, 1–50 mg/kg), and dichloromethane fraction (DS-AT, 1–80 mg/kg). The diuretic effects of AT-Cr, AS-AT, BS-AT, and DS-AT at 100, 200, and 300 mg/kg, p.o. doses, were also evaluated in comparison with hydrochlorothiazide (HCTZ, 10 mg/kg, p.o). The urinary volume, sodium, potassium, and pH were estimated in the sample collected for 6 h from saline-loaded rats. Using pharmacological antagonists or inhibitors, we determine the involvement of acetylcholine, prostaglandins, and nitric oxide in A. tenuifolius-induced hypotensive and diuresis action. In addition, the activities of angiotensin-converting enzyme, erythrocyte carbonic anhydrase, and renal Na+/K+/ATPase were evaluated in vitro. Acute treatment with crude extract and fractions of A. tenuifolius exhibited significant hypotensive and diuretic potential in normotensive rats. However, AS-AT produced the most potent and significant dose-dependent hypotension and diuretic effects in normotensive rats. Previous treatment with atropine significantly reduced the hypotensive and diuretic action of AS-AT, but pretreatment with indomethacin or L-NAME did not affect these effects. Moreover, the 7-day treatment with AS-AT did not reduce activities of serum angiotensin-converting enzyme, erythrocyte carbonic anhydrase, and renal Na+/K+/ATPase. AS-AT showed four major compound node clusters, which included sugars, alkaloids, nucleoside, amino acid, and glycosylated flavonoids. This research supports and extends the traditional use of A. tenuifolius as a hypotensive and diuretic agent. The results showed that AS-AT from A. tenuifolius could present compounds responsible for hypotensive and diuretic activities through the activation of muscarinic receptors.

Compendious Review on Bioactive Constituents and Pharmacotherapeutic Profile of Heliotropium indicum Linn.

: Heliotropium indicum Linn. (syn. Tiaridium indicum) is a widespread plant that grows like a weed and is commonly termed as ‘Hatisundu’ (Family: Heliotropiaceae, Subfamily: Boraginaceae). The plant is endogenous to Southern America and has been naturalized in North America, Africa, Asia and Australia. It is utilized worldwide owing to its ethnomedical significance. The folklore uses of the plant include uterine stimulant, antifertility, diuretic agent and many more. The widespread literature studies reveal that the plant possesses varied pharmacological activities including antimicrobial, antinociceptive, anti-ulcer, anti-glaucoma, anti-tuberculosis, and anti-plasmodial and wound healing. The wild occurrence of this species worldwide provides an opportunity to utilize this plant to paramount levels in treating diverse ailments. This review attempts to provide a comprehensive account of phytochemicals present in the different parts of the plant which are in turn responsible for its therapeutic potential.

Bumetanide Suppression of Angiogenesis in a Rat Model of Oxygen-Induced Retinopathy

Aquaporins (AQPs) are involved in hypoxia-induced angiogenesis and retinal damage. Bumetanide is a diuretic agent, Na+/K+/Cl− cotransporter (NKCC1), and AQP 1–4 inhibitor. We tested the hypothesis that early postnatal treatment with bumetanide suppresses biomarkers of angiogenesis and decreases severe retinopathy oxygen-induced retinopathy (OIR). Neonatal rats were exposed at birth (P0) to either (1) room air (RA); (2) hyperoxia (50% O2); or (3) intermittent hypoxia (IH) consisting of 50% O2 with brief, clustered episodes of 12% O2 from P0 to postnatal day 14 (P14), during which they were treated intraperitoneally (IP) with bumetanide (0.1 mg/kg/day) or an equivalent volume of saline, on P0–P2. Pups were examined at P14 or allowed to recover in RA from P14–P21. Retinal angiogenesis, morphometry, pathology, AQPs, and angiogenesis biomarkers were determined at P14 and P21. Bumetanide reduced vascular abnormalities associated with severe OIR. This was associated with reductions in AQP-4 and VEGF. Bumetanide suppressed sVEGFR-1 in the serum and vitreous fluid, but levels were increased in the ocular tissues during recovery. Similar responses were noted for IGF-I. In this model, early systemic bumetanide administration reduces severe OIR, the benefits of which appear to be mediated via suppression of AQP-4 and VEGF. Further studies are needed to determine whether bumetanide at the right doses may be considered a potential pharmacologic agent to treat retinal neovascularization.

Diuretic and Antidiuretic Activities of Ethanol Extract and Fractions of Lagopsis supina in Normal Rats

Lagopsis supina is a well-known traditional Chinese medicine and used as an agent for diuresis in China for centuries. This is the first time to evaluate the diuretic activity of the ethanol extract of L. supina (LS) and its four fractions (LSA, LSB, LSC, and LSD) in normal rats. After the administration of LS-H, LS-M, LSB-H, and LSC-L, the urine output of the rats was significantly increased, while the urine excretion was significantly reduced after treatment with LSB-L. The urine Na+ excretion was remarkably increased with LS-H, LS-M, LSA-H, LSA-L, LSB-H, LSC-L, and LSD-L, and the urine K+ excretion was significantly increased after administration of LS-H and LSB-H. Moreover, the urine Na+ and K+ excretion was significantly reduced after treatment with LSC-H and LSD-H. However, the urine pH values and urine and serum Na+-K+-ATPase levels did not show remarkable change after administration of LS or its four fractions in comparison with the control group. On the contrary, LS and its four fractions can suppress the renin-angiotensin-aldosterone system (RAAS), including ADH arrest by LSB-H, LSB-L, LSC-L, LSD-L, and LSD-H and ALD arrest by LSD-L, as well as promote ANP release by LS-M, LSB-H, LSC-H, and LSD-H, while furosemide can suppress only arrest of ADH within 24 h compared with the control group. In addition, LS and its four fractions did not change the urine and serum TNF-α and IL-6 levels in normal rats within 24 h. This study will provide a quantitative basis for explaining the natural medicinal use of LS as a diuretic agent for edema and promoting the diuretic process.

Organic and Inorganic Analysis of Rhaphidophora pinnata (l.f.) Schott Water Extract

BACKGROUND: Rhaphidophora pinnata (L.f.) Schott is one of the Indonesian plants, has known as a medicinal plant. This plant is a vine; round stems have sticky roots and hanging roots. The leaves have been used as traditional anticancer in Singapore. Indonesian people have also used R. pinnata plants as a diuretic agent, anticancer and antibacterial. R. pinnata plants contain active substances from alkaloid compounds, flavonoids, saponins, tannins and triterpenoids/steroids. AIM: The purpose of this study was to determine the organic and inorganic content of Rhaphidophora pinnata (L.f.) Schott water extract in the form of fresh leaves, micro simplicia and nano simplicia. METHOD: The collected R. pinnata leaves are drained and grinded to make micro, and nano Simplicia powder of R. pinnata leaves. The size characterisation of R. pinnata leaves was analysing using Particles Size Analyzer. The water extract of R. pinnata leaves, micro simplicia, and nano simplicia R. pinnata leaves was made 10% (w / v) in water. Phytochemical screening of nano simplicia and nano simplicia water extract included an examination of alkaloid compounds, flavonoids, saponins, tannins, glycosides, and steroids/triterpenoids. Thin-layer chromatography analysis of water extract was analysed using TLC scanner. The element that contains in the water extract was analysed using atomic absorption spectrophotometry methods. RESULT: The results of phytochemical screening of nano simplicia powder and nano simplicia water extract showed the presence of flavonoids, alkaloids, saponins, tannins, and glycosides. Eluent, which shows good elution is n-butanol: acetic acid: water (6: 2: 2). This eluent is used to elute polar and semipolar compounds and is very good for separating flavonoids. R. pinnata water extract contains the minerals potassium, sodium, magnesium and calcium. CONCLUSION: R. pinnata water extract contains organic compounds in the form of flavonoids, alkaloids, saponins, tannins, and glycosides. The nano simplicia water extract showed more chemical content than other water extracts on the TLC plate by detection at a wavelength of 250 nm and 300 nm. The most element content in R. pinnata water extract is potassium, followed by magnesium, sodium, and calcium.

Chemical variability of common skullcap (Scutellaria galericulata L.) wild growing in the area of eastern Poland

Summary Introduction. In the group of plants revealing adaptogenic activity, species belonging to Scutellaria genus are considered to be the most important ones. Common skullcap (Scutellaria galericulata L.) is less known species from this genus, growing wild in Poland in wet habitats. Its herb has been used in the past as a sedative and diuretic agent. Objective. The aim of the study was to determine the variability of common skullcap in terms of the accumulation of flavonoids in the herb. Methods. The objects of the study were 17 common skullcap populations growing wild in eastern Poland. At each natural site, the list of main flowering plant species was carried out, according to Braun-Blanquet scale of plant abundance. The total content of flavonoids was determined according to EP 8th. The analysis of flavonoids was carried out using HPLC, Shimadzu chromatograph. Results. The total content of flavonoids ranged from 0.21 to 0.50% dry matter (DM). Using HPLC, eight compounds were identified within the group, with chrysin-7-O-glucuronide (30.91–589.27 mg × 100 g−1 DM), baicalin (61.90–482.93 mg × 100 g−1 DM) and scutellarin (43.77–213.54 mg × 100 g−1 DM) as dominants. Chrysin was the compound which in the highest degree differentiated investigated populations (CV=0.77). Conclusion. Obtained results indicate that investigated common skullcap populations differed in terms of the total content of flavonoids as well as the content of indentified flavonoids in the herb. However, there was no clear relationship between geographical localization of populations and the content of identified flavonoids in raw material.

Phytochemical screening and diuretic activity of Euphorbia granulata

<p>The aim of this study was to evaluate diuretic activity of aqueous methanolic extract of <em>Euphorbia granulate</em> in rats. Albino rats were divided into five groups. Group I served as reference, Group II as standard and Group III, IV and V served as test. The three doses of extract (30, 50 and 100 mg/kg) were given to rats (i.p) in acute diuretic model. Furosemide (10 mg/kg i.p) was used as standard drug. The extract induced diuretic effects and induced electrolytes excretion in a dose-dependent manner when compared with control. The extract (100 and 50 mg/kg) significantly (p&lt;0.01) increased the volume of urine in comparison to control group. Similarly, the excretion of potassium and sodium were also significantly (p&lt;0.05) increased following extract administration. However, there was no significant change in the pH of urine samples of the extract-treated group compared with control. The result of this study thus offers support to the traditional folker use of this plant as a diuretic agent.</p><p> </p>