scholarly journals Synthesis of Fluorinated Heterocyclic Compounds for Pharmacological Screening

2021 ◽  
Vol 17 (3) ◽  
pp. 16-24
Author(s):  
NIVYA BINOY ◽  
◽  
SHACHINDRA L. NARGUND ◽  
SHRAVAN L. NARGUND ◽  
RAMA NARGUND ◽  
...  
Keyword(s):  
Melting Point ◽  
Antiinflammatory Activity ◽  
Protein Denaturation ◽  
Analytical Techniques ◽  
Diffusion Method ◽  
Amino Compound ◽  
Mass Spectral ◽  
Pharmacokinetic Properties ◽  
Ft Ir

A series of derivatives of (E)-6-chloro-5-fluoro-2-styryl-1H-benzo[d]imidazole, and 5-fluoro-2-methylN-phenyl-1H-benzo[d]imidazol-6-amine was synthesized. Compounds confirmed by melting point, FT-IR, 1HNMR, Mass spectral analytical techniques and predicted for their ADME, Pharmacokinetic properties.Synthesized compounds screened for better antibacterial and antiinflammatory activity. To synthesize a series of novel trisubstituted fluorinated benzimidazole derivatives and evaluate the physicochemical, ADME and pharmacokinetic properties and biological activity. The starting material Flouro-chloro-aniline ona series of reaction such as acetylation, nitration, deacetylation followed by reductionto get 4-fluoro-5-chloroorthophenylene diamine. The di-amino compound cyclized with acetyl chloride to obtain 6-chloro-5-fluoro-2- methyl-1H-benzimidazole which on reaction with various aromatic aldehyde forms series of compounds 31(a-h), and with various anilines forms compounds 32(a-j). Physicochemical, ADME and pharmacokinetic properties predicted Insilco. Antimicrobial activity screened by Agar diffusion method. In vitro antiinflammatory activity screened by protein denaturation assay.The compounds synthesized confirmed by melting Point, FT-IR, 1HNMR, Mass spectral analytical techniques and predicted for their ADME, Pharmacokinetic properties in silico. The compounds screened and confirmed with moderate antimicrobial, and in vitro antiinflammatory activity.

Synthesis, Antimalarial Evaluation and SAR Study of Some 1,3,5-Trisubstituted Pyrazoline Derivatives

2019 ◽  
Vol 16 (10) ◽  
pp. 807-817 ◽  
Author(s):  
Shilpy Aggarwal ◽  
Deepika Paliwal ◽  
Dhirender Kaushik ◽  
Girish Kumar Gupta ◽  
Ajay Kumar
Keyword(s):  
Antimalarial Activity ◽  
Analysis Data ◽  
Docking Study ◽  
Maximum Activity ◽  
Elemental Analysis Data ◽  
Mass Spectral ◽  
Structure Activity ◽  
Pharmacokinetic Properties ◽  
Sar Study

The synthesis of a novel series of 1,3,5-trisubstitiuted pyrazoline was achieved by refluxing chalcone derivative with different heteroaryl hydrazines. The newly synthesized compounds were characterized by 1H NMR, 13CNMR, mass spectral and elemental analysis data. The synthetic series of novel pyrazoline hybrids was screened for in vitro schizont maturation assay against chloroquine sensitive 3D7 strain of Plasmodium falciparum. Most of the compounds showed promising in vitro antimalarial activity against CQ sensitive strain. The preliminary structure-activity relationship study showed that quinoline substituted analog at position N-1 showed maximum activity followed by benzothiazole substitution, while phenyl substitution lowers the antimalarial activity. The observed activity was persistent by the docking study on P. falciparum cystein protease falcipain-2. The pharmacokinetic properties were also studied using ADME prediction.

Synthesis, SAR, In-Silico appraisal and Anti-Microbial Study of substituted 2-aminobenzothiazoles derivatives

2019 ◽  
Vol 15 ◽  
Author(s):  
Devidas G. Anuse ◽  
Suraj N. Mali ◽  
Bapu R. Thorat ◽  
Ramesh S. Yamgar ◽  
Hemchandra K. Chaudhari
Keyword(s):  
Antimicrobial Activity ◽  
In Silico ◽  
Docking Study ◽  
Moderate Activity ◽  
Molecular Docking Study ◽  
Mass Spectral ◽  
Gram Positive Bacteria ◽  
Ft Ir ◽  
In Silico Molecular Docking

Background: Antimicrobial resistance is major global health problem, which is being rapidly deteriorating the quality of human health. Series of substituted N-(benzo[d]thiazol-2-yl)-2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)acetamide (3a-j) were synthesized from substituted N-(benzo[d]thiazol-2-yl)-2-chloroacetamide/bromopropanamide (2a-j) and 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole (2) and further evaluated for their docking properties and antimicrobial activity. Methods: All synthesized compounds were characterized by FT-IR, NMR and Mass spectral analysis. All compounds were allowed to dock against different antimicrobial targets having PDB ID: 1D7U and against common antifungal target having PDB ID: 1EA1. Results: The compounds 3d and 3h were showed good activity against Methicillin-resistant Staphylococcus aureus (MRSA, resistance Gram-positive bacteria). All synthesized compounds showed good to moderate activity against selected bacterial and fungal microbial strains. If we compared the actual in-vitro antimicrobial activity and in-silico molecular docking study, we found that molecules 3i and 3h were more potent than the others. Conclusion: Our current study would definitely pave the new way towards designing and synthesis of more potent 2-aminobenzothiazoles derivatives.

Effects of in-Office and at-Home Bleaching on Human Enamel and Dentin: An in vitro Application of Fourier Transform Infrared Study

2008 ◽  
Vol 62 (11) ◽  
pp. 1274-1279 ◽  
Author(s):  
Feride Severcan ◽  
Kurtulus Gokduman ◽  
Ayca Dogan ◽  
Sukran Bolay ◽  
Saadet Gokalp
Keyword(s):  
Fourier Transform ◽  
Structural Changes ◽  
Protein Denaturation ◽  
Random Coil ◽  
Protein Ratio ◽  
Band Frequency ◽  
Human Enamel ◽  
Ft Ir ◽  
At Home

In-office and at-home bleaching techniques are widely used methods for the whitening of teeth. However, the safety of these techniques has not been clarified yet. The aim of the current study is to investigate the in-office- and at-home-bleaching-induced structural and quantitative changes in human enamel and dentin at the molecular level, under in vitro conditions. The Fourier transform mid-infrared (mid-FT-IR) spectroscopic technique was used to monitor bleaching-induced structural changes. Band frequency and intensity values of major absorptions such as amide A, amide I, phosphate (PO4), and carbonate (CO3−2) bands, for treatment groups and control, were measured and compared. The results revealed that both procedures have negligible effects on dentin constituents. In office-bleached enamel, in addition to demineralization, a decrease in protein and polysaccharide concentrations, mineral-to-protein ratio, and the strength of hydrogen bonds around NH groups, as well as a change in protein secondary structure were observed. The protein structure changed from β-sheet to random coil, which is an indication of protein denaturation. However, no significant variations were observed for at-home bleached enamel. The control, at-home, and in-office bleached enamel samples were differentiated with a high accuracy using cluster analysis based on FT-IR data. This study revealed that office bleaching caused deleterious alterations in the composition and structure of enamel that significantly affected the crystallinity and mineralization of the tissue. Therefore, at-home bleaching seems to be much safer than in-office bleaching in terms of molecular variations.

scholarly journals SYNTHESIS AND STRUCTURAL ELUCIDATION OF AMINO ACETYLENIC AND THIOCARBAMATES DERIVATIVES FOR 2-MERCAPTOBENZOTHIAZOLE AS ANTIMICROBIAL AGENTS

2017 ◽  
Vol 9 (2) ◽  
pp. 192
Author(s):  
Aseel Alsarahni ◽  
Zuhair Muhi Eldeen ◽  
Elham Al-kaissi ◽  
Ibrahim Al- Adham ◽  
Najah Al-muhtaseb
Keyword(s):  
Antimicrobial Activity ◽  
Elemental Analysis ◽  
Antimicrobial Agents ◽  
Diffusion Method ◽  
Benzothiazole Derivatives ◽  
H Nmr ◽  
Ft Ir ◽  
Potential Antimicrobial Activity ◽  
C Nmr

<p><strong>Objective: </strong>To design and synthesize amino acetylenic and thiocarbonate of 2-mercapto-1,3-benthiazoles as potential antimicrobial agents.</p><p><strong>Methods: </strong>A new series of 2-{[4-(t-amino-1-yl) but-2-yn-1-yl] sulfanyl}-1,3-benzothiazole derivatives (AZ1-AZ6), and S-1,3-benzothiazol-2-yl-O-alkyl carbonothioate derivatives were synthesised, with the aim that the target compounds show new and potential antimicrobial activity. The elemental analysis was indicated by the EuroEA elemental analyzer, and biological characterization was via IR, <sup>1</sup>H-NMR, [13]C-NMR, DSC were determined with the aid of Bruker FT-IR and Varian 300 MHz spectrometer using DMSO-d<sub>6</sub> as a solvent.<em> </em><em>In vitro </em>antimicrobial activity, evaluation was done for the synthesised compounds, by agar diffusion method and broth dilution test. The minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) were determined. <em></em></p><p><strong>Results: </strong>The IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, DSC and elemental analysis were consistent with the assigned structures. Compound of 2-{[4-(4-methylpiperazin-1-yl)but-2-yn-1-yl] sulfanyl}-1,3-benzothiazole (AZ1), 2-{[4-(2-methylpiperidin-1-yl)but-2-yn-1-yl]sulfanyl}-1,3-benzothiazole (AZ2), 2-{[4-(piperidin-1-yl) but-2-yn-1-yl]sulfanyl}-1, 3-benzothiazole (AZ6), S-1,3-benzothiazol-2-yl-O-ethyl carbonothioate (AZ7), and S-1,3-benzothiazol-2-yl-O-(2-methylpropyl) carbonothioate (AZ9) showed the highest antimicrobial activity against <em>Pseudomonas aeruginosa </em>(<em>P. aeruginosa</em>), AZ-9 demonstrated the highest antifungal activity against <em>Candida albicans </em>(<em>C. albicans</em>), with MIC of 31.25 µg/ml.</p><p><strong>Conclusion: </strong>These promising results promoted our interest to investigate other structural analogues for their antimicrobial activity further.</p>

scholarly journals Anti-Inflammatory Effects of 3-Formyl, 7-Flavonols Derivatives by Microwave Enhanced Chemistry Assisted - Vilsmeier Haack Synthesis

2019 ◽  
Vol 12 (04) ◽  
pp. 1779-1791
Author(s):  
M. Karpakavalli ◽  
A.Y. Sangilimuthu ◽  
A.Usha Raja Nanthini ◽  
G.Nagaraja Perumal ◽  
S. Mohan ◽  
...  
Keyword(s):  
Protein Denaturation ◽  
Population Increase ◽  
Spectral Studies ◽  
Dimethyl Formamide ◽  
Mass Spectral ◽  
Paw Oedema ◽  
Rf Values ◽  
Anti Inflammatory

In the modern medicines the novel and active molecules are essential to act against various diseases and increase the needs day by day due to population increase. In view of that, we attempt to make a variety of synthetic molecules against inflammation by a new and popular greener microwave assisted and faster method such as Microwave Enhanced Chemistry assisted Vilsmeier Haack Synthesis (MEC-VHS). In this paper, we report the synthesis of nitro- dinitro- and acetyl- derivatives of 3- formyl, 7-flavonols using MEC-VHS techniques against inflammation as anti-inflammatory agent. These derivatives were synthesized via pinkish formylation complex of dimethyl formamide and phosphorous oxychloride by microwave irradiation resulted as suspension by base. The re-crystallized products were characterized through Co-TLC, λmax, IR, HPTLC, 1HNMR, CHN analysis and mass spectral studies. The HPTLC finger print profiles obtained were of with a prominent single peak and with a matching Rf values compared to that obtained by an ordinary Co-TLC technique. All the synthesized compounds were screened for their anti-inflammatory activity by in vitro protein denaturation method and in vivo carrageenan induced paw oedema method and it was found that all the compounds excepting the un-substituted 3-formyl, 7-flavonols gave an equi- or more potent activity as compared to that of the standard.

scholarly journals Synthesis, Characterization and Evaluation of Anti-inflammatory Activity of Novel Indoline Derivatives

2016 ◽  
Vol 12 (12) ◽  
pp. 4557-4563
Author(s):  
Dhinesh kumar Manoharan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Protein Denaturation ◽  
Inflammatory Activity ◽  
Potent Inhibition ◽  
Ft Ir ◽  
Anti Inflammatory

Series of indoline derivatives were synthesized using N-(4-aminophenyl) indoline-1-carbothiamide as a precursor. The structures of synthesized compounds were confirmed by   FT-IR, 1H-NMR, 13C-NMR and LC-MS. The in vitro anti-inflammatory activity of synthesized indoline derivatives were examined by standard anti-denaturation assay. The compounds 4a (IC50 = 62.2 µg/ml) and 4b (IC50 = 60.7 µg/ml) showed potent inhibition on protein denaturation. The compounds 5a (IC50 = 97.8 µg/ml) exhibits moderate inhibition on protein denaturation

scholarly journals Formulation and characterization of flurbiprofen loaded microsponge based gel for sustained drug delivery

2019 ◽  
Vol 10 (4) ◽  
pp. 2765-2776
Author(s):  
Naresh Kshirasagar ◽  
Goverdhan Puchchakayala ◽  
Balamurgan K
Keyword(s):  
Drug Delivery ◽  
Particle Size ◽  
Drug Release ◽  
Diffusion Method ◽  
Skin Delivery ◽  
Sustained Action ◽  
Release Studies ◽  
Ft Ir ◽  
Polymer Ratio

The new investigation in this present work is to develop microsponges constructed novel drug delivery system for sustained action of Flurbiprofen. Quai-emulsion solvent diffusion method was engaged using Ethyl cellulose and Eudragit RS100 with drug: polymer ratio for development of microsponges. For optimization purposes, several factors are considered in the investigation. Several evaluation studies for the formed microsponges were carried out FT-IR, SEM, DSC, X-RD, particle size analysis, morphology, drug loading and In vitro drug release studies were carried out. Finally, it was concluded that there is no drug-polymer interaction as per DSC & FT-IR. Encapsulation efficiency, particle size and drug content showed a higher impact on alteration of drug-polymer ratio. SEM studies showed that morphological microsponges are spherical and porous in nature and with the mean particle size of 38.86 μm. The gel loaded with microsponges, were followed by In vitro and Ex vivo drug release studies by modified Franz diffusion cell. Skin delivery of optimized formulation enhanced the drug residence time and maintained therapeutic concentration for an extended period of time, which is possible to show sustained action of the drug.

scholarly journals Synthesis, Characterization and Molecular Docking of 1,2,4-Triazole Derivatives as Potential Antimicrobial Agents

2020 ◽  
Vol 32 (6) ◽  
pp. 1437-1442
Author(s):  
Panneerselvam Kalaivani ◽  
Jayaraman Arikrishnan ◽  
Mannuthusamy Gopalakrishnan
Keyword(s):  
Antimicrobial Agents ◽  
Docking Study ◽  
Binding Mode ◽  
Zone Of Inhibition ◽  
Mass Spectral ◽  
Antibacterial And Antifungal Activities ◽  
Inhibition Concentration ◽  
Ft Ir ◽  
Antibacterial And Antifungal

In this study, a new series of (E)-N-(4-(3-(3,5-dialkylphenyl)acryloyl)phenyl)-2-(1H-1,2,4-triazol-1- yl)acetamide (32-41) was synthesized, characterized by FT-IR, 1H NMR, 13C NMR and Mass spectral analysis and evaluated for their in vitro antibacterial and antifungal activities. The docking study of the newly synthesized compounds was performed and results showed good binding mode in the active site of 1T9U protein. The zone of inhibition concentration was tested for the synthesized compounds against five bacterial and three fungal strains. Compounds 34 and 37 have good antibacterial activity. Compounds 3, 4 and 6 shows moderate inhibition against the antifungal activity.

scholarly journals FORMULATION AND EVALUATION OF TOPICAL HERBAL GEL CONTAINING INCLUSION COMPLEX OF CURCUMIN

2019 ◽  
pp. 196-201
Author(s):  
VANDANA D ◽  
SHWETA PAWAR
Keyword(s):  
Inclusion Complex ◽  
Protein Denaturation ◽  
Release Kinetics ◽  
Inflammatory Activity ◽  
In Vitro Dissolution ◽  
Diffusion Method ◽  
Topical Gel ◽  
In Vitro Diffusion ◽  
Anti Inflammatory

Objective: The current work was aimed to prepare a topical gel containing curcumin (CUR) for the treatment of microbial infections on skin. Methods: CUR was complexed with the β-cyclodextrin (β-CD) using kneading method in 1:1, 1:2, and 1:3 molar ratios and characterized. The inclusion complex with high aqueous solubility was loaded in the topical gel containing (2% CUR) which was prepared using carbopol, sodium CMC, and guar gum and evaluated for viscosity, spreadability, extrudability, pH, drug content, and in vitro diffusion studies. The in vitro anti-inflammatory activity of the gel was performed by albumin protein denaturation technique, the statistical analysis was done using ANOVA followed Dunnett’s t-test. The antimicrobial activity of CUR was evaluated using standard strains of Candida albicans and Escherichia coli by agar well diffusion method. Results: The complexation of CUR had an increased solubility up to 103.09 times for 1:3 molar ratio with in vitro dissolution 90.64% for 60 min. The optimized formulation F9 had viscosity of 6500.3 cps and 97.5% in vitro drug diffusion for 8 h which follows zero-order release kinetics. In vitro anti-inflammatory activity studied showed that the CUR gel has a good potency for renaturation and was as effective as standard diclofenac with 76.9% inhibition (p=0.0507). CUR showed approx. 3 mm diameter of zone of inhibition against C. albicans and E. coli. Conclusion: A stable topical gel of CUR using β-CD and carbopol was successfully prepared which showed better in vitro diffusion with promising anti-inflammatory and antifungal action.

scholarly journals Pharmacognostical Investigation of Andrographis paniculata (Green Chiretta) and Crystallization of the Bioactive component Andrographolide

2020 ◽  
Vol 13 (2) ◽  
pp. 40-50
Author(s):  
Myrene R. Dsouza ◽  
Sapam Athoibi ◽  
Shashi Prabha
Keyword(s):  
Protein Denaturation ◽  
Linear Regression Analysis ◽  
Andrographis Paniculata ◽  
Diffusion Method ◽  
Total Phenolic ◽  
Phytochemical Analysis ◽  
Rbc Membrane ◽  
Bioactive Component ◽  
Ic50 Values

Andrographis paniculata (Family: Acanthaceae) is one the most commonly used ethno-medicinal plants in certain parts of Asia and European countries. The phytochemical analysis of the leaves of A. paniculata in aqueous, methanolic, ethanolic, hydromethanolic (1:1) and hydroethanolic (1:1) extracts revealed the presence of carbohydrates, amino acid, alkaloids, saponins, tannins, flavonoids, terpenoids, glycosides, xanthoproteins and phenols. The total phenolic, flavonoid contents and FRAP values were found to be highest in the hydromethanolic extract i.e., 0.23 ± 0.008 mg GAE/g of FWt, 0.031± 0.00 mg QE/g FWt and1.261 ± 0.03 mM FeSO4 respectively. Invitro antioxidant capacity by linear regression analysis was measured by assaying DPPH radical and H2O2 scavenging capacities. The respective IC50 values of the hydromethanolic extract of the plant were found to be 86.51 μg/ml and 298.27 μg/ml. The IC50 values for in vitro anti-inflammatory activities were evaluated by heat induced protein denaturation (IC50 diclofenac = 574.06 μg/ml, IC50 APE = 179.7 μg/ml) and RBC membrane stabilization assay (IC50 diclofenac = 337.64 μg/ml, IC50 APE = 143.07 μg/ml). The IC50 values for in vitro anti-diabetic activities were evaluated by α-amylase inhibition (IC50 acarbose = 379.71 μg/ml, IC50 APE = 328.54 μg/ml). In addition, glucose diffusion was also monitored. Antimicrobial activity of the extracts was studied against common pathogens using well diffusion method. The purification of Andrographolide was carried out using different physical separation techniques such as extraction and crystallization followed by drying.

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