Coumaronochromone as antibacterial and carbonic anhydrase inhibitors from Aerva persica (Burm.f.) Merr.: experimental and first-principles approaches

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Muhammad Imran ◽  
Ahmad Irfan ◽  
Mohammed A. Assiri ◽  
Sajjad H. Sumrra ◽  
Muhammad Saleem ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
First Principles ◽  
Molecular Electrostatic Potential ◽  
Chemical Constituents ◽  
Bacterial Strains ◽  
Hirshfeld Analysis ◽  
Carbonic Anhydrase Inhibition ◽  
Inhibition Studies ◽  
Lowest Unoccupied Molecular Orbitals

AbstractThe Aerva plants are exceptionally rich in phytochemicals and possess therapeutics potential. Phytochemical screening shows that Aerva persica (Burm.f.) Merr. contains highest contents i.e., total phenolics, flavonoids, flavonols, tannins, alkaloids, carbohydrates, anthraquinones and glycosides. In-vitro antibacterial and enzymatic (carbonic anhydrase) inhibition studies on methanol extracts of A. persica indicated the presence of biological active constituents within chloroform soluble portions. Investigation in the pure constituents on the chloroform portions of A. persica accomplished by column chromatography, NMR and MS analysis. The bioguided isolation yields four chemical constituents of coumaronochromone family, namely aervin (1-4). These pure chemical entities (1-4) showed significant antibacterial activity in the range of 60.05–79.21 µg/ml against various bacterial strains using ampicillin and ciprofloxacin as standard drugs. The compounds 1-4 showed promising carbonic anhydrase inhibition with IC50 values of 19.01, 18.24, 18.65 and 12.92 µM, respectively, using standard inhibitor acetazolamide. First-principles calculations revealed comprehensive intramolecular charge transfer in the studied compounds 1-4. The spatial distribution of highest occupied and lowest unoccupied molecular orbitals, ionization potential, molecular electrostatic potential and Hirshfeld analysis revealed that these coumaronochromone compounds would be proficient biological active compounds. These pure constituents may be used as a new pharmacophore to treat leaukomia, epilepsy, glaucoma and cystic fibrosis.

scholarly journals Protective effects of carbonic anhydrase inhibition in brain ischaemia in vitro and in vivo models

2021 ◽  
Vol 36 (1) ◽  
pp. 964-976
Author(s):  
Ilaria Dettori ◽  
Irene Fusco ◽  
Irene Bulli ◽  
Lisa Gaviano ◽  
Elisabetta Coppi ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
Protective Effects ◽  
Brain Ischaemia ◽  
In Vivo Models ◽  
Carbonic Anhydrase Inhibition

scholarly journals A QUANTUM-CHEMICAL DESCRIPTORS OF CARBONIC ANHYDRASE CA(I) INHIBITION BY AROMATIC SULFONYL AMIDES

2020 ◽  
Vol 2 (29(56)) ◽  
pp. 27-30
Author(s):  
E.N. Krylov ◽  
L.V. Virzum ◽  
I.D. Kryukova
Keyword(s):  
Nitrogen Atom ◽  
Carbonic Anhydrase ◽  
Electrostatic Potential ◽  
Quantum Chemical ◽  
Molecular Electrostatic Potential ◽  
Quantum Chemical Descriptors ◽  
Carbonic Anhydrase Inhibition ◽  
Chemical Descriptors ◽  
Quantum Parameters

The quantum parameters of aromatic sulfonylamides are determined to describe their interaction with carbonic anhydrase at the theory level M06/6-311 ++G**(SMD). The molecular electrostatic potential on the nitrogen atom in sulfamides and Hirschfeld charge on this atom have been found to appear to be adequate and determinative descriptors of carbonic anhydrase inhibition.

scholarly journals Dual inhibitors of urease and carbonic anhydrase-II from Iris species

2019 ◽  
Vol 91 (10) ◽  
pp. 1695-1707 ◽  
Author(s):  
Muhammad Saleem ◽  
Sumaira Hareem ◽  
Ajmal Khan ◽  
Suad Naheed ◽  
Muslim Raza ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
Significant Inhibition ◽  
Carbonic Anhydrase Ii ◽  
Natural Organic Compounds ◽  
Mass Spectrogram ◽  
Urease Enzyme ◽  
Dual Inhibitors ◽  
Inhibition Studies ◽  
First Time

Abstract Twenty seven (1–27) known natural organic compounds were isolated for first time from two species of Iris, i.e. loczyi and Iris unguicularis. The structures of these compounds were deduced from the spectral data of NMR, IR, and mass spectrogram. These were evaluated against urease and carbonic anhydrase inhibition studies. For carbonic anhydrase-II inhibition studies, these compounds were evaluated by biochemical mechanism based in vitro bio-assay. Some compounds showed significant inhibition against CA-II enzyme. Compartively, compound (12) showed IC50 value of 17.60 ± 0.08 μM against urease enzyme, while compound (3) was found to be most active against carbonic anhydrase-II, having an IC50 value of 66.27 ± 0.89 μM. Izalpinin (3), 5,7-dihydroxy-2′,6-dimethoxyisoflavone (9), 4′,5,7-trihydroxy-6-methoxyflavanone (16), 4′,5,7-trihydroxy-3′,8-dimethoxyflavanone (20), 8-methoxyeriodictyol (21), and mangiferin (26) were found to be dual inhibitors of both the enyzmes. The most active compounds were docked using Autodock Vina and i-GEMDOCK softwares. The docking and in-vitro results are in agreement which showed secondary interactions with the enzymes. The compounds can serve as therapeutic agents to treat urease and carbonic anhydrase associated disorders.

scholarly journals Assessment and antimricrobial modulating activity of the extract of Baccharis cinerea DC. from cariri cearense

2020 ◽  
Vol 36 (6) ◽  
Author(s):  
Cleberton Torres Santos ◽  
Luiz Eduardo Oliveira Teotônio ◽  
Ana Paula Leite Nascimento ◽  
Darcio Luiz de Sousa Júnior ◽  
Ítalo Mykaell da Silva Benjamin ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Chemical Constituents ◽  
Folk Medicine ◽  
Chemical Compounds ◽  
Therapeutic Effects ◽  
Bacterial Strains ◽  
Microdilution Method ◽  
Ethanol Extracts ◽  
Asteraceae Family

Baccharis cinerea belongs to the Asteraceae family, in Brazil is found in the Northeast and Southeast, occurring in the Caatinga and Mata Atlântica biomes, on the edges of the seasonal forests, board and altitude forests in both regenerating primary and secondary areas. Has proven antimicrobial and antiviral activity and is widely used in folk medicine for its various therapeutic effects and is used as an antiseptic for skin and wound infections, inflammation, diarrhea as well as being used as a purgative. The plants used in the traditional medicine are more and more explored scientifically because they are possible resources of substances with antimicrobial activity in front damage man’s health microorganism. In this context the objective of the study was to investigate the antimicrobial activity, modulator activity of antibiotic and in vitro phytochemical prospection of leaf ethanol extracts. Tests were performed on the bacterial strains of Staphylococcus aureus (ATCC 25923), Pseudomonas aeruginosa (ATCC 15442) and Escherichia coli (ATCC 10536). The antibacterial activity was analyzed by means determining the Minimum Inhibitory Concentration (MIC). For the evaluation of the modulating activity, the microdilution method of the diluted extract samples with the antibiotic’s amikacin, clindamycin and gentamicin was used. The MIC results were ≥ 1024 μg mL-1 by the bacterial strains. There was a relevance of concentrations in modulation with the antimicrobials tested such as amikacin and gentamicin, there were no discrepancy of clindamycin results in association with the extract. The chemical constituents found were leucoanthocyanidins, flabobenic tannins, flavanones, flavones, flavonoids, xanthones, chalcones, aurones. It is important to note that is necessary to do other studies to evaluate the potential of this species because it has important chemical compounds in reducing antimicrobial resistance.

scholarly journals CHEMICAL COMPOSITION, IN VITRO ANTIBACTERIAL, AND ANTIOXIDANT ACTIVITY OF ESSENTIAL OIL FROM LEAVES OF AJUGA PARVIFLORA BENTH

2018 ◽  
Vol 11 (14) ◽  
pp. 57
Author(s):  
Sanjay Kumar ◽  
Mohammad S Javed ◽  
Pawan Kumar ◽  
Rishendra Kumar
Keyword(s):  
Antioxidant Activity ◽  
Essential Oil ◽  
Chemical Constituents ◽  
Radical Scavenging ◽  
Diffusion Method ◽  
Bacterial Strains ◽  
Vitro Assay ◽  
Germacrene D ◽  
Antibacterial And Antioxidant Activity

Objectives: The aim of our study was to evaluate the phytogenic chemical compounds and assess their antibacterial and antioxidant activity of essential oil of Ajuga parviflora Benth. growing in the Himalayan region. Methods: In the present study, the phytochemical constituents of essential oil were isolated by steam distillation and screened by gas chromatography (GC) and GC–mass spectrometry (GC-MS) analysis from A. parviflora is rich in oxygenated monoterpenoids and sesquiterpenoids. The essential oil was further evaluated for their antibacterial by well-diffusion method and antioxidant activity by 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assay at various concentrations. Results: The major chemical constituents were α-cadinol (21.36%), α-muurolol (14.2%), cubebol (12.76%), germacrene D-4-ol (9.6%), germacrene D (4.32%), farnesyl acetate (3.58%), longifolol acetate (2.76%), and β-bourbonene (2.35 %) whereas monoterpenoids were minor constituents. The zone of inhibition (ZOI) shown by essential oil against test bacterial strains at concentration of 500 μg/ml to Gram-negative bacteria Pseudomonas aeruginosa (5.6 mm), Escherichia coli (5 mm), Salmonella typhimurium (8.6 mm), and Proteus vulgaris (10.7 mm) and Gram-positive bacteria Bacillus subtilis (8.3 mm). At the same time, ZOI of standard antibiotic ciprofloxacin against test bacterial strains was P. aeruginosa (9.6 mm), E. coli (14.3mm), S. typhimurium (19.3 mm), P. vulgaris (17.8 mm), and B. subtilis (20.6 mm), respectively. The free radical scavenging property of A. parviflora employed by in vitro assay methods like scavenging activity of DPPH was 81% at 500 μg/ml concentrations, respectively. Conclusion: Our study showed that α-cadinol, α-muurolol, and cubebol as the major components in this oil which was absent in previous findings of A. parviflora and essential oil had potent antibacterial and antioxidant activity, respectively.

scholarly journals Nutritional Value of Some Local Mushroom Species of Nepal

2017 ◽  
Vol 2 ◽  
pp. 1-11
Author(s):  
Akkal Deo Mishra ◽  
Manju Mishra
Keyword(s):  
Amino Acids ◽  
Wild Species ◽  
Chemical Constituents ◽  
Dry Mass ◽  
Maximum Amount ◽  
Bacterial Strains ◽  
Paddy Straw ◽  
Mushroom Species ◽  
Saw Dust

A study on the nutrients of cultivated and wild mushrooms as a sample analysis is carried out. The variation of chemical constituents based on the species, substratum and season has been observed for three cultivated species namely Agaricus bisporus, Pleurotus sajorcaju and Laccaria leccata alongwith one wild species namely Laetiporus sulphureus. The observations have been made for saw dust, paddy straw and wheat straw as substratum. Saw dust is found to produce higher yield followed by paddy straw in summer season as compared to winter vegetation. On the average 1.5 kg of saw dust produced 1 kg of mushroom.Some principal nutrients like carbohydrates, amino acids, proteins, fats, minerals, fibre and ash, moisture content, etc. are estimated from the mentioned mushroom species. The maximum amount of nutrients contained in 100gm of dry mass is 90% moisture, 15% fibre and ash, 8% carbohydrates, 12% amino acids, 32% proteins and 2.5% fat contents among the mushroom species studied. These mushrooms possess considerable amount of minerals like sodium, potassium, calcium, iron, phosphorus, etc. The maximum amount of these mineral elements in the mushrooms under experiment is 5% sodium, 6% phosphorus, 4% potassium, 2.5% calcium and 3% iron in straw based vegetation grown in summer season.The mushroom species studied have been tested against different fungal and bacterial strains to observe their microbiological activities by using their biomass extract. They are found mild to moderate in antifungal and antibacterial activities. The wild species have shown higher potentiality against in vitro tested microbes as compared to cultivated mushrooms under experiment. Janapriya Journal of Interdisciplinary StudiesVol. 2, No.1 (December 2013), Page: 1-11

scholarly journals Alpha-glucosidase and carbonic anhydrase inhibition studies of Pd(II)-hydrazide complexes

2017 ◽  
Vol 10 (4) ◽  
pp. 488-499 ◽  
Author(s):  
Qurrat-ul-Ain ◽  
Uzma Ashiq ◽  
Rifat Ara Jamal ◽  
Muhammad Saleem ◽  
Mohammad Mahroof-Tahir
Keyword(s):  
Carbonic Anhydrase ◽  
Carbonic Anhydrase Inhibition ◽  
Inhibition Studies ◽  
Alpha Glucosidase

scholarly journals Cytotoxic, antiglycation and carbonic anhydrase inhibition studies of chromium(III)-aroylhydrazine complexes

2018 ◽  
Vol 9 (3) ◽  
pp. 168-177
Author(s):  
Bushra Shamshad ◽  
Rifat Ara Jamal ◽  
Uzma Ashiq ◽  
Mohammad Mahroof-Tahir ◽  
Muhammad Saleem
Keyword(s):  
Carbonic Anhydrase ◽  
Significant Contribution ◽  
Biological Activities ◽  
Significant Inhibition ◽  
Protein Glycation ◽  
Spectral Studies ◽  
Bidentate Coordination ◽  
Carbonic Anhydrase Inhibition ◽  
Uv Visible ◽  
Inhibition Studies

In order to further reveal the chemistry and biochemistry of chromium(III) complexes, the present work illuminates the formation of chromium(III) complexes with aroylhydrazine ligands with their physical, chemical and spectral studies. Another significant contribution of this study is the evaluation of the cytotoxic activity, antiglycation property and carbonic anhydrase inhibition study of synthesized chromium(III)-aroylhydrazine complexes. Synthesis and structural investigation of aroylhydrazine ligands (1-7) and their chromium(III) complexes (1a-7a) were carried out by using elemental analysis (C, H, N), physical (conductivity measurements) and spectral (EI-Mass, ESI-Mass, FTIR and UV-Visible) methods. These physical, analytical and spectral data supports that all chromium(III)-aroylhydrazine complexes exhibit an octahedral geometry in which ligand exhibits as a bidentate coordination and two water molecules coordinated at equatorial positions with general formula [Cr(L)2(H2O)2]Cl3. Cytotoxic investigations shows that synthesized chromium(III)-aroylhydrazine complexes were not found to be toxic against normal cells so these compounds were further studied for other biological activities. Moreover, aroylhydrazine ligands and their chromium(III) complexes were examined for their antiglycation activity in which ligands were found inactive whereas chromium(III)-aroylhydrazine complexes showed significant inhibition of the process of protein glycation. Similarly, in carbonic anhydrase inhibition studies all aroylhydrazine ligands were observed inactive while some of chromium(III)-aroylhydrazine complexes showed potential in carbonic anhydrase inhibition.

scholarly journals Carbonic Anhydrase Inhibition: Effect on Rat Hearts In Vitro With and Without pH Perturbations

2018 ◽  
Vol 32 (S1) ◽  
Author(s):  
Nicholas A. Wasinger ◽  
Timothy P. Geisbuhler ◽  
William F. Brechue
Keyword(s):  
Carbonic Anhydrase ◽  
Inhibition Effect ◽  
Rat Hearts ◽  
Carbonic Anhydrase Inhibition
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