Identification and Molecular Docking Studies of Bioactive Principles from Alphonsea madraspatana Bedd. against Uropathogens

Aims: The present study aims to determine the antimicrobial efficacy of Alphonsea madraspatana leaves extract against selected uropathogens. Background: The plant Alphonsea madraspatana is an endangered species, reported to exhibit high antimicrobial activity due to the presence of phenolic compounds. Prevalence of high UTI infection and increased cases of bacterial resistance directed for alternative approach to meet the challenge of drug resistance. Objective: Our objective is to determine antimicrobial efficacy of Alphonsea madraspatana leaves extract against selected uropathogens and subsequent in-silico analysis to predict the underlying mechanism. Methods: Phytochemicals extraction from the dried leaves of Alphonsea madraspatana was performed using solvent gradient technique. All the extracts were subjected to preliminary phytochemical screening using liquid chromatography-mass spectrometry. Antimicrobial activity of the prepared extract was determined against the selected uropathogens using agar diffusion method. Finally, molecular docking study of the selected bio-actives was performed against a representative bacterial resistance enzyme ‘‘DNA Gyrase”. Results: Methanolic extract exhibits relatively higher antimicrobial activity against the selected strains with Minimum Inhibitory Concentration (MIC) and minimum bactericidal concentration (MBC) of 1.56 ± 1 ug/mL and 6.25 ± 2 ug/mL, respectively. Phytochemical screening showed the presence of 3 flavonoids compounds such as Luteolin-7-O-glucoside, Kaempferol-3-O- rotinoside-7-O-rhamnoside and Genestein-7-O-glucoside. The results of molecular docking shows Luteolin-7-O-glucoside has best docking scores of −8.5 kcal/mol than other ligand molecules. Experimental simulation in presence of DNA Gyrase inhibitors showed lowest MIC and MBC value for E. Coli, which was found to be 1.56 ±1 ug/mL and 6.25±2 ug/mL respectively, support the docking outcomes. Conclusion: Outcomes of this study suggested that the methanolic extract of this plant shows good anti-microbial potential against resistant uropathogens.

Download Full-text

PHYTOCHEMICAL SCREENING AND ANTIMICROBIAL ACTIVITY OF BLUMEA MOLLIS (D.DON) MERRILL

Asian Journal of Pharmaceutical and Clinical Research ◽

10.22159/ajpcr.2019.v12i2.28477 ◽

2019 ◽

pp. 142-145

Author(s):

JYOTHILEKSHMY V ◽

ANJALI NAIR G ◽

VYSHAK K ◽

RADHIKA R NAIR ◽

AMRITA MURALIKRISHNAN ◽

...

Keyword(s):

Antimicrobial Activity ◽

Phenolic Acids ◽

Methanolic Extract ◽

Diffusion Method ◽

Phytochemical Screening ◽

Whole Plant ◽

Analytical Response ◽

Antibacterial And Antifungal ◽

Chloroform Methanol ◽

Gallic Acid Equivalent

Objective: The objective of this research was to carry out the preliminary phytochemical screening and to evaluate the antimicrobial activity of the methanolic extract of the Blumea mollis. Methods: In the present work, the phytochemicals of the whole plant were extracted using petroleum ether, chloroform, methanol, ethanol, and distilled water. These were then screened for triterpenes/steroids, alkaloids, anthraquinones, coumarins, flavonoids, saponins, tannins, and phenolic acids using standard methods. Further, the antimicrobial activity of the methanolic extract was determined using Gram-positive and negative bacteria. Agar well diffusion method was employed for antimicrobial activity study, and the zone of inhibition was found out. Results: The intensity of the color produced or the precipitate formed was used as the analytical response to these tests. Flavonoids, tannins, and phenolic acids showed positive results for phytochemical screening. The concentration of total phenols and flavonoids of the decoction was 45.5±0.2000 μg/ml gallic acid equivalent and 42.3±0.3606 μg/ml quercetin equivalent, respectively. Staphylococcus aureus, Escherichia coli, and Candida albicans were inhibited by the methanolic extract of B. mollis in agar well diffusion test. Conclusion: The results of the present study showed that the methanolic extract of B. mollis contains glycosides, phenolics, tannins, and flavonoids. Plant possesses significant antibacterial and antifungal property; the potent antimicrobial activity of the plant could be attributed to the presence of flavonoids and phenolic compounds in it.

Download Full-text

Synthesis, Antimicrobial Evaluation and Molecular Docking of Some Potential 2,6-disubstituted 1H-Benzimidazoles; Non-Classical Antifolates

Medicinal Chemistry ◽

10.2174/1573406415666190206231555 ◽

2019 ◽

Vol 15 (7) ◽

pp. 813-832 ◽

Cited By ~ 1

Author(s):

Sunil Harer ◽

Manish Bhatia ◽

Vikram Kawade

Keyword(s):

Antimicrobial Activity ◽

Molecular Docking ◽

Antimicrobial Agents ◽

Cross Reactivity ◽

Diffusion Method ◽

Molecular Docking Study ◽

One Pot ◽

Disk Diffusion Method ◽

Antimicrobial Evaluation

Background: Dihydrofolate reductase is one of the important enzymes for thymidylate and purine synthesis in micro-organisms. A large number of drugs have been designed to inhibit microbial DHFR but over the period of time, some drugs have developed resistance and cross reactivity towards the enzyme. Over the past few decades, benzimidazoles, triazoles and their derivatives have been grabbing the attention of the synthetic chemists for their wide gamut of antibacterial and antifungal activities targeting microbial protein DHFR. Objective: Our goal behind present investigation is to explore benzimidazoles class of drugs as microbial DHFR inhibitors by studying ligand-receptor binding interactions, in vitro enzyme inhibition assay and confirmation of anti-microbial activity against selected pathogenic microorganisms. Methods: A library containing thirty novel 2,6-disubstituted 1H-benzimidazoles was synthesized by one pot condensation of o-nitro aniline or 2,4-dinitro aniline with series of aldehydes or acetophenones using Na2S2O4 or SnCl2 respectively and reflux for 5-6hr. Structures of compounds have been confirmed by spectroscopic methods as 1H and 13C NMR, FT-IR and MS. In vitro DHFR inhibition study was performed by using Epoch microplate reader and IC50 of the test compounds was compared with Trimethoprim. In vitro antimicrobial activity was performed against selected clinical pathogens by agar disk diffusion method and MIC (µg/mL) was reported. Results: Moderate to good level of DHFR inhibition was observed with IC50 values in the range of 7-23 µM. Compounds B1, B19, B22, B24 and B30 expressed 1.1 to 1.4 folds more prominent DHFR inhibitory activity as compared to standard Trimethoprim. Remarkable antimicrobial activity was exhibited by B1, B19, B22, B24 and B30. Molecular docking study revealed perfect binding of test ligands with key amino acids of DHFR as Phe31, Ile94, Ile5, Asp27, Gln32 and Phe36. Conclusion: Nature of 1H-benzimidazole substituents at position 2 and 6 had influence over magnitude and type of molecular binding and variation in the biological activity. The present series of 1H-benzimidazoles could be considered promising broad-spectrum antimicrobial candidates that deserve in future for preclinical antimicrobial evaluation and development of newer antimicrobial agents targeting microbial DHFR.

Download Full-text

Synthesis, in Silico Molecular Docking Studies and Antibacterial Activity of 4-(4-Hydrazinylbenzyl)-1,3-Oxazolidin-2-One against DNA Gyrase Enzyme

International Letters of Chemistry Physics and Astronomy ◽

10.18052/www.scipress.com/ilcpa.50.43 ◽

2015 ◽

Vol 50 ◽

pp. 43-49

Author(s):

P. Jacquline Rosy ◽

S. Kalyanasundaram ◽

K. Santhanalakshmi ◽

S. Muthukumar

Keyword(s):

Staphylococcus Aureus ◽

Antimicrobial Activity ◽

Molecular Docking ◽

Dna Gyrase ◽

Docking Studies ◽

Binding Activity ◽

Diffusion Method ◽

Antimicrobial Drugs ◽

Disk Diffusion Method

The molecular docking and antimicrobial activity studies of synthesized 4-(4-hydrazinylbenzyl)-1,3-oxazolidin-2-one were performed, in order to provide insights into the mechanism of action of potential antimicrobial drugs for resistant microorganisms. antimicrobial activity of compounds was investigated in vitro under aseptic conditions, using the disk diffusion method, against various gram positive and gram negative pathogenic microorganisms such as Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, Bacillus substilis and Staphylococcus aureus. Molecular docking was performed to study the binding activity of synthesized hydrazide onto the active site of DNA Gyrase Protein in an effort to increase the understanding of the action and resistance of synthesized hydrazide in this bacterium.

Download Full-text

Design, Synthesis, Antimicrobial and Anti-biofilm Evaluation, and Molecular Docking of Newly Substituted Fluoroquinazolinones

Medicinal Chemistry ◽

10.2174/1573406414666181109092944 ◽

2019 ◽

Vol 15 (6) ◽

pp. 659-675

Author(s):

Mohamed F. Zayed ◽

Sabrin R.M. Ibrahim ◽

EL-Sayed E. Habib ◽

Memy H. Hassan ◽

Sahar Ahmed ◽

...

Keyword(s):

Molecular Docking ◽

Antimicrobial Agents ◽

Receptor Site ◽

Docking Study ◽

Diffusion Method ◽

Molecular Docking Study ◽

Active Compounds ◽

Highly Active ◽

Strong Binding ◽

Agar Disc

Background: Quinazolines and quinazolinones derivatives are well known for their important range of therapeutic activities. Objective: The study aims to carry out the synthesis of some derivatives of substituted fluoroquinazolinones based on structure-based design and evaluation of their antibacterial, antifungal, and anti-biofilm activities. Methods: Compounds were chemically synthesized by conventional methods. Structures were established on the basis of spectral and elemental analyses. The antimicrobial potential was tested against various microorganisms using the agar disc-diffusion method. MIC and MBC as well as anti-biofilm activity for the highly active compounds were assessed. Moreover, the computational studies were performed using Auto dock free software package (version 4.0) to explain the predicted mode of binding. Results: All derivatives (5-8), (10a-g), and (A-H) were biologically tested and showed significant antimicrobial activity comparable to the reference compounds. Compounds 10b, 10c, and 10d had a good MIC and MBC against Gram-positive bacteria, whereas 10b and 10d showed significant MIC and MBC against Gram-negative bacteria. However, compounds E and F exhibited good MIC and MBC against fungi. Compound 10c and 8 exhibited significant anti-biofilm activity towards S. aureus and M. luteus. Molecular docking study revealed a strong binding of these derivatives with their receptor-site and detected their predicted mode of binding. Conclusion: The synthesized derivatives showed promising antibacterial, antifungal, and antibiofilm activities. Modeling study explained their binding mode and showed strong binding affinity with their receptor-site. The highly active compounds 5 and 10c could be subjected to future optimization and investigation to be effective antimicrobial agents.

Download Full-text

Synthesis, Antimicrobial Evaluation and Docking Study of Novel Thiosemicarbazone clubbed with 1,2,3-Triazoles

Current Bioactive Compounds ◽

10.2174/1573407216999200911121853 ◽

2020 ◽

Vol 16 ◽

Author(s):

Adinath D. Badar ◽

Shubham M. Sulakhe ◽

Mahesh B. Muluk ◽

Naziya N. M. A. Rehman ◽

Prashant P. Dixit ◽

...

Keyword(s):

Binding Affinity ◽

Biological Activities ◽

Dna Gyrase ◽

Docking Study ◽

Antimicrobial Activities ◽

Diffusion Method ◽

Molecular Docking Study ◽

Triazole Derivatives ◽

Antibacterial And Antifungal

Background: Thiosemicarbazone, 1,2,3-triazole and their derivatives received great pharmaceutical importance due to their prominent biological activities. In the present study, the molecular hybrid thiosemicarbazone-1,2,3-triazoles derivatives were synthesized and screened for their antimicrobial activities. Methods: A series of thiosemicarbazone clubbed with 1,2,3-triazole derivatives were synthesized via click chemistry approach in good yields. The structures of synthesized compounds were assigned by their spectral data. The in vitro antimicrobial activity was performed by the agar well diffusion method. A molecular docking study was performed to identify the possible mode of action of synthesized derivatives. Results: The compounds 5d, 5h, 5i and 5k have exhibited excellent antimicrobial activities against both antibacterial and antifungal pathogens. The active thiosemicarbazone-1,2,3-triazole derivatives have shown excellent binding affinity towards DNA gyrase. Conclusion: The molecular hybrid thiosemicarbazone-1,2,3-triazole derivatives were synthesized. The newly synthesized compounds were evaluated for their antimicrobial activities. Few of the thiosemicarbazone-1,2,3-triazoles derivatives have exhibited good antimicrobial activities. They have been shown excellent binding affinity towards DNA gyrase.

Download Full-text

PHYTOCHEMICAL SCREENING AND PHARMACOLOGICAL EVALUATION OF AEGLE MARMELOS FRUIT

INDIAN DRUGS ◽

10.53879/id.57.04.12172 ◽

2020 ◽

Vol 57 (04) ◽

pp. 59-64

Author(s):

Pratibha Thaware ◽

Pushpa Karale ◽

Mahesh Karale ◽

Pranati Chavan

Keyword(s):

Methanolic Extract ◽

Radical Scavenging ◽

Reducing Power ◽

Pharmacological Action ◽

Diffusion Method ◽

Phytochemical Screening ◽

Aegle Marmelos ◽

Pharmacological Screening ◽

Hplc Data

The objective of this study was to evaluate the phytochemical and pharmacological screening of fruit extracts of Aegle marmelos using various in vitro methods. The antioxidant activity of the extracts was evaluated by using DPPH free radical scavenging and reducing power method, while well diffusion method was used for antimicrobial activity. Phytochemical screening indicated the presence of flavonoids, and phenolics were abundantly present in methanolic and aqueous extracts of A. marmelos. Methanolic extract showed significant antioxidant potential, which was however inferior to that of ascorbic acid. The methanolic extract showed maximum zone of inhibition against the S. aureus (18 mm) and it was higher than that of the standard tetracycline. The HPLC data predict that the presence of scopoletin, marmelosin and umbelliferone, which may contribute to their pharmacological action.

Download Full-text

Antimicrobial activity of Pycnarrhena cauliflora (Miers.) Diels. methanol extract

Indonesian Journal of Pharmacology and Therapy ◽

10.22146/ijpther.1656 ◽

2021 ◽

Vol 2 (2) ◽

Author(s):

Eti Nurwening Sholikhah ◽

Maulina Diah ◽

Mustofa ◽

Masriani ◽

Susi Iravati ◽

...

Keyword(s):

Antimicrobial Activity ◽

Methanolic Extract ◽

Biological Activities ◽

Positive Control ◽

Diffusion Method ◽

Gram Negative Bacteria ◽

Gram Positive ◽

Gram Negative ◽

Gram Positive Bacteria ◽

Methanolic Extracts

Pycnarrhena cauliflora (Miers.) Diels., local name sengkubak, is one of indigenous plants from West Kalimantan that has been used as natural flavor. Pycnorrhena cauliflora is one of species of Menispermaceae family which is rich in bisbenzylisoquinoline alkaloids. This alkaloids are known to have various biological activities including antiprotozoal, antiplasmodial, antifungal and antibacterial activities. This study aimed to investigate antimicrobial activity of the P. cauliflora (Miers.) Diels. methanolic extracts against gram-positive and gram-negative bacteria. The methanolic extract of P. cauliflora (Miers.) Diels., root, leaf and stem were prepared by maceration. The disk-diffusion method was then used to determine the antimicrobial activity of the extracts against Streptococcus pyogenes, S. mutants, Staphylococcus aureus, S. epidermidis, Salmonella typhi, Shigella flexneri, Pseudomonas aeruginosa and Escherichia coli after 18-24 h incubation at 37 oC. Amoxicillin was used as positive control for gram-positive bacteria and ciprofloxacin was used as gram-negative bacteria. The inhibition zones were then measured in mm. Analysis were conducted in duplicates. The results showed in general the methanolic extracts of P. cauliflora (Miers.) Diels. root (inhibition zone diameter= 10-23 mm) were more active than that leaf (0-15 mm) and stem (0-17 mm) extracts against gram-positive bacteria. The zone inhibition diameter of amoxicillin as positive control was 8-42 mm. In addition, the methanolic extracts of P. cauliflora (Miers.) Diels. root (12-17 mm) were also more active than that leaf (0-12 mm) and stem (0-12 mm) extracts against gram-negative bacteria. The zone inhibition diameter of ciprofloxacin as positive control was 33-36 mm. In conclusion, the methanolic extract of P. caulifloria (Miers.) Diels. root is the most extract active against both gram-positive and gram-negative bacteria. Further study will be focused to isolate active compounds in the methanolic extract of the root.

Download Full-text

Comparative Study on the Antimicrobial Efficacy of Methanolic Extract of Root, Callus and Fruit Extracts of Myxopyrum smilacifolium Blume

International Journal of Applied Sciences and Biotechnology ◽

10.3126/ijasbt.v2i4.11362 ◽

2014 ◽

Vol 2 (4) ◽

pp. 521-524

Author(s):

RP Praveen ◽

Ashalantha Nair

Keyword(s):

Antimicrobial Activity ◽

Methanolic Extract ◽

Fungal Strain ◽

Antimicrobial Efficacy ◽

Bacterial Strains ◽

E Coli ◽

Root Extracts ◽

Fruit Extracts ◽

Root Callus ◽

And Staphylococcus Aureus

The aim of the present study was to compare the antimicrobial efficacy of methanolic extract of root, callus and fruit of Myxopyrum smilacifolium Blume. Antimicrobial activity was tested using agar well diffusion with four bacterial strains viz: Escherechia coli, Enterococcus faecalis, Bacillus subtilis and Staphylococcus aureus of which E. coli alone was gram negative. The fungal strain employed was Candida albicans. Root extracts shown to be effective only against B. subtilis. Fruit extracts showed the maximum antimicrobial activity against all the microbial species considered for the current study except against S. aureus. Highlight of the present study was the antimicrobial activity of callus extracts. DOI: http://dx.doi.org/10.3126/ijasbt.v2i4.11362 Int J Appl Sci Biotechnol, Vol. 2(4): 521-524

Download Full-text

Phytochemical screening and in vitro antibacterial, antifungal, antioxidant and antitumor activities of the red propolis Alagoas

Brazilian Journal of Biology ◽

10.1590/1519-6984.182959 ◽

2019 ◽

Vol 79 (3) ◽

pp. 452-459 ◽

Cited By ~ 15

Author(s):

F. R. G. Silva ◽

T. M. S. Matias ◽

L. I. O. Souza ◽

T. J. Matos-Rocha ◽

S. A. Fonseca ◽

...

Keyword(s):

Antimicrobial Activity ◽

Antioxidant Activity ◽

Phenolic Compounds ◽

Gallic Acid ◽

Bioactive Metabolites ◽

Diffusion Method ◽

Total Phenolic ◽

Phytochemical Screening ◽

Dpph Method

Abstract The study aimed to evaluate the antimicrobial activity, antioxidant, toxicity and phytochemical screening of the Red Propolis Alagoas. Antimicrobial activity was evaluated by disk diffusion method. Determination of antioxidant activity was performed using the DPPH assay (1.1-diphenyl-2-picrylhydrazyl), FTC (ferric thiocyanate) and determination of phenolic compounds by Follin method. Toxicity was performed by the method of Artemia salina and cytotoxicity by MTT method. The phytochemical screening for the detection of allelochemicals was performed. The ethanol extract of propolis of Alagoas showed significant results for antimicrobial activity, and inhibitory activity for Staphylococcus aureus and Candida krusei. The antioxidant activity of the FTC method was 80% to 108.3% hydrogen peroxide kidnapping, the DPPH method showed an EC50 3.97 mg/mL, the content of total phenolic compounds was determined by calibration curve gallic acid, resulting from 0.0005 mg/100 g of gallic acid equivalent. The extract was non-toxic by A. salina method. The propolis extract showed high activity with a higher percentage than 75% inhibition of tumor cells OVCAR-8, SF-295 and HCT116. Chemical constituents were observed as flavonones, xanthones, flavonols, and Chalcones Auronas, Catechins and leucoanthocyanidins. It is concluded that the extract can be tested is considered a potential source of bioactive metabolites.

Download Full-text