scholarly journals A Multi-Biochemical and In Silico Study on Anti-Enzymatic Actions of Pyroglutamic Acid against PDE-5, ACE, and Urease Using Various Analytical Techniques: Unexplored Pharmacological Properties and Cytotoxicity Evaluation

Biomolecules ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 392 ◽  
Author(s):  
Miroslava Šudomová ◽  
Sherif T. S. Hassan ◽  
Haroon Khan ◽  
Mahsa Rasekhian ◽  
Seyed Mohammad Nabavi
Keyword(s):  
Analytical Techniques ◽  
Fetal Lung ◽  
In Vitro Cytotoxicity ◽  
Pyroglutamic Acid ◽  
In Vitro Assays ◽  
Amino Acid Derivative ◽  
Acetohydroxamic Acid ◽  
Ionization Mass ◽  
Standard Drug

In the current study, pyroglutamic acid (pGlu), a natural amino acid derivative, has efficiently inhibited the catalytic activities of three important enzymes, namely: Human recombinant phosphodiesterase-5A1 (PDE5A1), human angiotensin-converting enzyme (ACE), and urease. These enzymes were reported to be associated with several important clinical conditions in humans. Radioactivity-based assay, spectrophotometric-based assay, and an Electrospray Ionization-Mass Spectrometry-based method were employed to ascertain the inhibitory actions of pGlu against PDE5A1, ACE, and urease, respectively. The results unveiled that pGlu potently suppressed the activity of PDE5A1 (half-maximal inhibitory concentration; IC50 = 5.23 µM) compared with that of standard drug sildenafil citrate (IC50 = 7.14 µM). Moreover, pGlu at a concentration of 20 µg/mL was found to efficiently inhibit human ACE with 98.2% inhibition compared with that of standard captopril (99.6%; 20 µg/mL). The urease-catalyzed reaction was also remarkably inactivated by pGlu and standard acetohydroxamic acid with IC50 values of 1.8 and 3.9 µM, respectively. Remarkably, the outcome of in vitro cytotoxicity assay did not reveal any significant cytotoxic properties of pGlu against human cervical carcinoma cells and normal human fetal lung fibroblast cells. In addition to in vitro assays, molecular docking analyses were performed to corroborate the outcomes of in vitro results with predicted structure–activity relationships. In conclusion, pGlu could be presented as a natural and multifunctional agent with promising applications in the treatment of some ailments connected with the above-mentioned anti-enzymatic properties.

scholarly journals Antifungal Prenylated Diphenyl Ethers from Arthrinium arundinis, an Endophytic Fungus Isolated from the Leaves of Tobacco (Nicotiana tabacum L.)

Molecules ◽  
2018 ◽  
Vol 23 (12) ◽  
pp. 3179 ◽  
Author(s):  
Peng Zhang ◽  
Xin Li ◽  
Xiao-Long Yuan ◽  
Yong-Mei Du ◽  
Bin-Gui Wang ◽  
...  
Keyword(s):  
Nicotiana Tabacum ◽  
Cell Line ◽  
Endophytic Fungus ◽  
In Vitro Cytotoxicity ◽  
Ionization Mass ◽  
Monocytic Cell ◽  
Monocytic Cell Line ◽  
Nicotiana Tabacum L ◽  
Diphenyl Ethers

An endophytic fungus Arthrinium arundinis TE-3 was isolated and purified from the fresh leaves of cultivated tobacco (Nicotiana tabacum L.). Chemical investigation on this fungal strain afforded three new prenylated diphenyl ethers (1−3) as well as three known analogues (4−6). Structure elucidation of the isolated compounds was carried out by analysis of 1D and 2D nuclear magnetic resonance (NMR) and high-resolution electrospray ionization mass spectroscopy (HRESIMS) spectra, as well as by comparison of those data with literature data. The absolute configuration of the stereogenic center at C-8 in 1 was assigned by comparison of the experimental and calculated ECD spectra. Compounds 1 and 2 showed selective antifungal activity against Mucor hiemalis with minimum inhibitory concentration (MIC) values of 8 and 4 μg/mL, respectively. Compounds 5 and 6 exhibited inhibitory activity against Alteraria alternata with an MIC value of 8 μg/mL. In the cytotoxic assay, 2, 5, and 6 displayed moderate in vitro cytotoxicity against the human monocytic cell line (THP-1 cell line), with IC50 values of 40.2, 28.3, and 25.9 μM, respectively. This study indicated that endophytic fungi possess great potential for exploring new bioactive secondary metabolites.

scholarly journals Synthesis, Spectral Characterization, and In Vitro Cytotoxicity of Some Fe(III) Complexes Bearing Unsymmetrical Salen-Type Ligands Derived from 2-Hydroxynaphthaldehyde and Substituted Salicylaldehydes

2021 ◽  
Vol 2021 ◽  
pp. 1-9
Author(s):  
Quang Trung Nguyen ◽  
Phuong Nam Pham Thi ◽  
Nguyen Van Tuyen
Keyword(s):  
Cell Line ◽  
Cancer Cell ◽  
Human Cancer ◽  
Cancer Cell Line ◽  
Tumor Cell Line ◽  
In Vitro Cytotoxicity ◽  
Ionization Mass ◽  
Hek 293 ◽  
Human Cancer Cell Lines

Six Fe(III) complexes bearing unsymmetrical salen-type ligands derived from 2-hydroxynaphthaldehyde and substituted salicylaldehydes were synthesized by coordinating the unsymmetrical salen-type ligands with FeCl3.6H2O. The synthetic complexes were characterized by electrospray ionization mass spectra (ESI-MS), effective magnetic moments (μeff), and infrared (IR) and ultraviolet-visible (UV-Vis) spectra. The spectroscopic data are in good agreement with the suggested molecular formulae of the complexes. Their cyclic voltammetric studies in acetonitrile solutions showed that the Fe(III)/Fe(II) reduction processes are electrochemically irreversible. The in vitro cytotoxicity of the obtained complexes was screened on human cancer cell lines KB (a subline of Hela tumor cell line) and HepG2 (a human liver cancer cell line) and a normal human cell line HEK-293 (Human Embryonic Kidney cell line). The results showed that the synthetic Fe(III) complexes are highly cytotoxic and quite selective. The synthetic complexes bearing unsymmetrical salen-type ligands with different substituted groups in the salicyl ring indicate different cytotoxicity.

Cytotoxic Flavones from the Stem Bark of Bougainvillea spectabilis Willd

Planta Medica ◽  
2017 ◽  
Vol 84 (02) ◽  
pp. 129-134 ◽  
Author(s):  
Lien Do ◽  
Thammarat Aree ◽  
Pongpun Siripong ◽  
Nga Vo ◽  
Tuyet Nguyen ◽  
...  
Keyword(s):  
Cell Lines ◽  
Stem Bark ◽  
In Vitro Cytotoxicity ◽  
Crystallographic Analysis ◽  
Ionization Mass ◽  
Etoac Extract ◽  
Ic50 Values ◽  
Bougainvillea Spectabilis ◽  
Mcf 7

AbstractFive new flavones possessing a fully substituted A-ring with C-6 and C-8 methyl groups, bougainvinones I – M (1–5), along with three known congeners, 2′-hydroxydemethoxymatteucinol (6), 5,7,3′,4′-tetrahydroxy-3-methoxy-6,8-dimethylflavone (7) and 5,7,4′-trihydroxy-3-methoxy-6,8-dimethylflavone (8), were isolated from the EtOAc extract of the stem bark of Bougainvillea spectabilis. Their structures were established by means of spectroscopic data (ultraviolet, infrared, high-resolution electrospray ionization mass spectrometry, and one-dimensional and two-dimensional nuclear magnetic resonance) and single-crystal X-ray crystallographic analysis. The in vitro cytotoxicity of all isolated compounds against five cancer cell lines (KB, HeLa S-3, MCF-7, HT-29, and HepG2) was evaluated. Compound 5 showed promising cytotoxic activity against the KB and HeLa S-3 cell lines, with IC50 values of 7.44 and 6.68 µM. The other compounds exhibited moderate cytotoxicity against the KB cell line.

scholarly journals In-vitro cytotoxicity and antioxidant property evaluation from methanolic extract of Cuscuta Reflexa flowers

2015 ◽  
Vol 1 (2) ◽  
pp. 285-291
Author(s):  
Md Hossan Sakib ◽  
Mohammad Shahadat Hossain ◽  
Muhammad Sazzad Hossain ◽  
Asif Al Mahmood ◽  
Md Yasin Sarkar ◽  
...  
Keyword(s):  
Brine Shrimp ◽  
Methanolic Extract ◽  
In Vitro Cytotoxicity ◽  
Standard Drug ◽  
Brine Shrimp Lethality ◽  
Cuscuta Reflexa ◽  
Lc50 Value ◽  
Vincristine Sulphate ◽  
Anti Oxidant

This investigation is made upon the plant Cuscuta reflexa, the flowers of it, to find out its Cytotoxicity property. The anti-oxidant property of this plant part was investigated using methanol extraction. Methanolic extract of Cuscuta reflexa.Was used to evaluate its cytotoxicity in Brine shrimp lethality bioassay where vincristine sulphate was used as standard drug. In Brine shrimp lethality bioassay, LC50 value of the extract was 36.72?g/ml and vincristine sulphate served as the positive control showed LC50 value 10.51?g/ml. So, compared to vincristine sulphate, it is evident that the methanol extract of flowers of Cuscuta reflexa was cytotoxic. In case of anti-oxidant the scavenging power (IC50) of DPPH radical was 29.26, 17.07, 18.29, 19.55 and 54.87?g/ml respectively.Asian J. Med. Biol. Res. June 2015, 1(2): 285-291

scholarly journals Phytochemical Profile, Antioxidant Activity, and Cytotoxicity Assessment of Tagetes erecta L. Flowers

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1201
Author(s):  
Ana Flavia Burlec ◽  
Łukasz Pecio ◽  
Solomiia Kozachok ◽  
Cornelia Mircea ◽  
Andreia Corciovă ◽  
...  
Keyword(s):  
Biological Activities ◽  
In Vitro Cytotoxicity ◽  
In Vitro Assays ◽  
Tagetes Erecta ◽  
Phytochemical Analysis ◽  
Total Extract ◽  
Tagetes Erecta L ◽  
Cytotoxicity Assessment

Tagetes erecta L. is a popular ornamental plant of the Asteraceae family, which is widely cultivated not only for its decorative use, but also for the extraction of lutein. Besides carotenoid representatives, which have been extensively studied, other important classes of secondary metabolites present in the plant, such as polyphenols, could exhibit important biological activities. The phytochemical analysis of a methanolic extract obtained from T. erecta inflorescences was achieved using liquid chromatography–mass spectrometry (LC-MS) techniques. The extract was further subjected to a multistep purification process, which allowed the separation of different fractions. The total extract and its fractions contain several polyphenolic compounds, such as hydroxybenzoic and hydroxycinnamic acid derivatives, flavonols (especially quercetagetin glycosides), and several aglycons (e.g., quercetin, patuletin). One of the fractions, containing mostly quercetagitrin, was subjected to two different antioxidant assays (metal chelating activity and lipoxygenase inhibition) and to in vitro cytotoxicity assessment. Generally, the biological assays showed promising results for the investigated fraction compared to the initial extract. Given the encouraging outcome of the in vitro assays, further purification and structural analysis of compounds from T. erecta extracts, as well as further in vivo investigations are justified.

scholarly journals In Vitro Antileishmanial Activities of Olea europaea, Kigelia africana, Terminalia mollis, Croton Macrostachyus and Bridella micrantha, Kenyan Medicinal Plants

2020 ◽  
pp. 30-43
Author(s):  
Mukhwana Dennis Wafula ◽  
Ayieko Cyrus ◽  
Mweresa Collins ◽  
Ingonga Johnstone ◽  
Matoke-Muhia Damaris
Keyword(s):  
Cell Viability ◽  
Olea Europaea ◽  
In Vitro Assays ◽  
Herbal Drugs ◽  
Active Compounds ◽  
Standard Drug ◽  
Crude Extracts ◽  
Croton Macrostachyus ◽  
Olea Europaéa

Leishmaniasis is a major public health problem globally. Visceral leishmaniasis is known to be fatal if left untreated, while cutaneous leishmaniasis is the most neglected. The first-line treatment of leishmaniasis is based on pentavalent antimonial drugs which are expensive, requiring inpatient treatment and toxic. The Plants containing active compounds against other protozoan diseases may offer alternatives against leishmania parasites. This study determined the in vitro antileishmanial activity of Olea europaea, Kigelia africana, Terminalia mollis, Croton macrostachyus and Bridella micrantha extracts. The plant samples were dried, pulverized into fine powders and extracted using ethanol at the Center for Traditional Medicine and Drugs Research, KEMRI. The in vitro assays were carried out at the Leishmania laboratory, Centre for Biotechnology Research and Development, KEMRI. In in- vitro assays the inhibitory concentrations (IC50) and Minimum Inhibition Concentration (MIC) on L. major promastigotes, percentage rates of macrophages infected by amastigotes and cytotoxicity on Vero cells were determined. For each parameter analyzed, differences among treatment groups exposed to different drugs were tested by logistic regression. Results showed that promastogote and amastigote growth inhibition was significantly affected by the crude extracts from the plants (P < 0.05) after 24 hours of exposure where the most effective drug was the standard drug (Amphotericin B) while among the crude extracts of the herbal drugs, T. mollis was the most effective against amastigote followed by C. macrostachyus while O. europaea was the least effective. Mammalian cell viability was significantly affected by the various test compounds (P < 0.05) after 24 hours exposure where % cell viability of herbal drugs, B. microstachyus, O. africana resulted to the most toxic effects by reducing the % cell viability to less than 50%. The study recommends the use of T. mollis in management of leishmaniasis in areas they occur. Further analysis of the active compounds that that affect efficacy of the plant extracts is advised.

scholarly journals Synthesis, spectroscopic characterization and biological application of copper complex of 5-carbethoxy-2-thiouracil

2020 ◽  
Vol 10 (6) ◽  
pp. 145-148
Author(s):  
Brajesh Kumar ◽  
Abhishek Suman
Keyword(s):  
Cell Line ◽  
Cell Lines ◽  
Carcinoma Cell ◽  
Fetal Lung ◽  
In Vitro Cytotoxicity ◽  
Mixed Ligand ◽  
Carcinoma Cell Line ◽  
Mixed Ligand Complexes ◽  
High Concentration

5-carbethoxy-2-thiouracil (eitotH2) reacts with CuX (X= Cl, Br, I) halides to give the formula [CuX(eitotH)2]2 dinuclear complexes, while the formula [CuX(PPh3)2(eitotH)2] mononuclear mixed ligand complexes result when reaction is carried out in the presence of two equivalent of triphenylphosphine (PPh3). The new copper (I) complexes were studied against two tumor cell lines, A549 (human pulmonary carcinoma cell line) and HeLa (human epithelial carcinoma cell line) and one regular immortalized cell line, MRC5 (human fetal lung fibroblast). In comparison to the phosphine free ones that hindered cell proliferation only at relatively high concentration, the mixed ligand complexes with triphenylphosphine were found to be extremely cytotoxic. Keywords: Copper (I), 5-carbethoxy-2-thiouracil (eitotH2), Triphenylphosphine, in vitro cytotoxicity, carcinoma cell lines

scholarly journals Novel pyrazolyl-thiazoles: synthesis, characterization and study of their antidiabetic properties

2020 ◽  
Vol 10 (4) ◽  
pp. 5849-5854
Keyword(s):  
Good Yield ◽  
Coupling Reaction ◽  
Analytical Techniques ◽  
Antidiabetic Activity ◽  
Spectral Studies ◽  
Thiazole Derivatives ◽  
Standard Drug ◽  
Future Drug ◽  
Drug Compound

A novel series of 1,3-diphenyl-pyrazole-4-carboxylic acid and its thiazole derivatives were conveniently synthesized followed by coupling reaction to investigate their efficiency as α-amylase and α-glucosidase inhibiting agents. Initially, pyrazole esters were obtained by using various benzaldehydes as precursor and subsequently converted to respective acids in tetrahydrofuran solvent medium. All the acid key intermediates obtained were coupled with previously synthesized thiazole amines to yield title compound with good yield. The current attempt cultivated many advantages such as good yield, time quenching and easy work up. Structures of newly obtained compounds were characterized by spectral studies such as NMR, Mass, IR and elemental analytical techniques. Finally, all the prepared compounds were tested for their antidiabetic activity. Among the synthesized compounds in comparison with standard drug, compound 4c, 4e and 4j showed promising in vitro antidiabetic activity. Bioassay result suggest that the compound 4e may emerge as a potent antidiabetic agent in future drug design.

scholarly journals INDOLE DERIVATIVES: DESIGN, SYNTHESIS, IN-VITRO BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDY AS ANTICANCER AGENTS

2018 ◽  
Vol 5 (1) ◽  
pp. 28-32
Author(s):  
Amuthavalli A ◽  
Prakash B ◽  
Velmurugan R
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Study ◽  
Docking Studies ◽  
Biological Evaluation ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Study ◽  
Design Synthesis ◽  
Standard Drug

New hetero annulated indoles were synthesized and structurally characterized by spectral means. In order to understand the nature of interactions of these molecules, we carried out molecular docking studies using the protein kinase CK2 inhibitors. The docking results provided some useful information for the futuredesign of more potent inhibitors. The in vitro cytotoxicity was evaluated for all the new compounds by MTT assay against HeLa and compared with the standard drug ellipticine. All the compounds showed moderate to potent activity against the cell lines. The preliminary structure–activity relationships were carried out.

Furanone-functionalized benzothiazole derivatives: synthesis, in vitro cytotoxicity, ADME, and molecular docking studies

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Asif Husain ◽  
Silky Bedi ◽  
Shazia Parveen ◽  
Shah Alam Khan ◽  
Aftab Ahmad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Cell Lines ◽  
Anticancer Agents ◽  
Human Cancer ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Standard Drug ◽  
Molecular Docking Studies ◽  
Benzothiazole Derivatives

Abstract In the present study, a novel series of new furanone-based benzothiazole derivatives (4a-j) were synthesized from 4-(benzo[d]thiazol-2-yl)-4-oxobutanoic acid (3) as potential anticancer agents. In vitro cytotoxicity against three human cancer cell lines (A549, MCF7, and DUI45) revealed substantial activity. Di-substituted compound, 4i emerged as a promising anticancer compound which showed IC50 values of 7.2 ± 0.5, 6.6 ± 1.4, and 7.3 ± 0.1 µM against A549, MCF7, and DUI45 cell lines, respectively. Four compounds 4c, 4e, 4f, and 4i evaluated for their acute toxicity were found to be non-toxic on the two vital organs (liver and heart). Further, these compounds were found to be more efficient and less hepatotoxic in comparison to standard drug doxorubicin. Molecular docking studies carried out with VEGFR-2 revealed compounds 4a and 4i as potential VEGFR-2 kinase inhibitors. In silico ADME evaluation was carried out to estimate and predict drug-likeness. Compound 4i demonstrated the best ADME parameters. Based on the results of docking analyses, ADME, and in vitro cytotoxicity, compound 4i is identified as the lead compound for further development of anticancer agents.

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