scholarly journals Experimental Urolithiasis Model to assess Phyto-fractions as Anti-lithiatic Contributors: A Herbaceutical Approach

2021 ◽  
Author(s):  
Aishwarya Tripurasundari Devi ◽  
N Yashaswini ◽  
Farhan Zameer ◽  
Nagendra MN Prasad
Keyword(s):  
Kidney Stones ◽  
Cost Effective ◽  
Docking Studies ◽  
Cellular Level ◽  
Potential Candidate ◽  
Leaf Extracts ◽  
Surgical Methods ◽  
Kalanchoe Pinnata ◽  
Egg Membrane

Life-style disorders have bought a serious burden on the maintenance of health in animals and humans. Lithiasis specifically nephro- and urolithiasis is no exception and needs urgent attention. Currently, only semi-invasive and surgical methods are widely employed which leads to trauma and reoccurrence of kidney stones. Hence complementary and alternative herbal medicine could pave newer ways in exploring anti-lithiatic contributors. The current study attempts to screen twenty herbal hot aqueous leaf extracts for assessing their antioxidant potency (anti-stress) and efficiency against urolithiasis in an experimental calcium oxalate-induced in vitro (chicken egg membrane) model. The study was further validated by In silico molecular docking studies using the Molegro software package on enzymatic biomarkers involved in scavenging oxidants in the host and regulating oxalate metabolism at a cellular level. Among the screened botanicals Kalanchoe pinnata exhibited promising results compared to the standard chemical (potassium-magnesium citrate) and phyto-formulation drug (cystone) currently used by clinicians for treating urolithiasis. The phytochemical profiling (qualitative and quantitative) and virtual studies indicated rutin from Kalanchoe pinnata as a potential candidate for preventing kidney stones. The results of the current study provide better insights into the design and development of newer, smart, and cost-effective herbal therapeutics making food as medicine.

Elucidating the anti-biofilm and anti-quorum sensing potential of selenocystine against respiratory tract infections causing bacteria: in vitro and in silico studies

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Bharti Patel ◽  
Subrata Mishra ◽  
Indira K. Priyadarsini ◽  
Sirisha L. Vavilala
Keyword(s):  
Quorum Sensing ◽  
Respiratory Tract ◽  
Protein Function ◽  
Docking Studies ◽  
Klebsiella Pneumonia ◽  
Potential Candidate ◽  
In Silico Studies ◽  
Specific Proteins ◽  
Tract Infections

Abstract Bacteria are increasingly relying on biofilms to develop resistance to antibiotics thereby resulting in their failure in treating many infections. In spite of continuous research on many synthetic and natural compounds, ideal anti-biofilm molecule is still not found thereby warranting search for new class of molecules. The current study focuses on exploring anti-biofilm potential of selenocystine against respiratory tract infection (RTI)-causing bacteria. Anti-bacterial and anti-biofilm assays demonstrated that selenocystine inhibits the growth of bacteria in their planktonic state, and formation of biofilms while eradicating preformed-biofilm effectively. Selenocystine at a MIC50 as low as 42 and 28 μg/mL effectively inhibited the growth of Klebsiella pneumonia and Pseudomonas aeruginosa. The antibacterial effect is further reconfirmed by agar cup diffusion assay and growth-kill assay. Selenocystine showed 30–60% inhibition of biofilm formation in K. pneumonia, and 44–70% in P. aeruginosa respectively. It also distorted the preformed-biofilms by degrading the eDNA component of the Extracellular Polymeric Substance matrix. Molecular docking studies of selenocystine with quorum sensing specific proteins clearly showed that through the carboxylic acid moiety it interacts and inhibits the protein function, thereby confirming its anti-biofilm potential. With further validation selenocystine can be explored as a potential candidate for the treatment of RTIs.

scholarly journals Phloroglucinol as a Potential Candidate against Trypanosoma congolense Infection: Insights from In Vivo, In Vitro, Molecular Docking and Molecular Dynamic Simulation Analyses

Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 469
Author(s):  
Nasirudeen Idowu Abdulrashid ◽  
Suleiman Aminu ◽  
Rahma Muhammad Adamu ◽  
Nasir Tajuddeen ◽  
Murtala Bindawa Isah ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Binding Energies ◽  
Sub Saharan Africa ◽  
Dynamics Simulation ◽  
Potential Candidate ◽  
Inhibitory Effects ◽  
Hydrogen Bond Interaction

Sub-Saharan Africa is profoundly challenged with African Animal Trypanosomiasis and the available trypanocides are faced with drawbacks, necessitating the search for novel agents. Herein, the chemotherapeutic potential of phloroglucinol on T. congolense infection and its inhibitory effects on the partially purified T. congolense sialidase and phospholipase A2 (PLA2) were investigated. Treatment with phloroglucinol for 14 days significantly (p < 0.05) suppressed T. congolense proliferation, increased animal survival and ameliorated anemia induced by the parasite. Using biochemical and histopathological analyses, phloroglucinol was found to prevent renal damages and splenomegaly, besides its protection against T. congolense-associated increase in free serum sialic acids in infected animals. Moreover, the compound inhibited bloodstream T. congolense sialidase via mixed inhibition pattern with inhibition binding constant (Ki) of 0.181 µM, but a very low uncompetitive inhibitory effects against PLA2 (Ki > 9000 µM) was recorded. Molecular docking studies revealed binding energies of −4.9 and −5.3 kcal/mol between phloroglucinol with modeled sialidase and PLA2 respectively, while a 50 ns molecular dynamics simulation using GROMACS revealed the sialidase-phloroglucinol complex to be more compact and stable with higher free binding energy (−67.84 ± 0.50 kJ/mol) than PLA2-phloroglucinol complex (−77.17 ± 0.52 kJ/mol), based on MM-PBSA analysis. The sialidase-phloroglucinol complex had a single hydrogen bond interaction with Ser453 while none was observed for the PLA2-phloroglucinol complex. In conclusion, phloroglucinol showed moderate trypanostatic activity with great potential in ameliorating some of the parasite-induced pathologies and its anti-anemic effects might be linked to inhibition of sialidase rather than PLA2.

scholarly journals Artemisia annua L. extracts prevent in vitro replication of SARS-CoV-2

2021 ◽  
Author(s):  
Manoj S Nair ◽  
Yaoxing Huang ◽  
David A Fidock ◽  
Stephen J Polyak ◽  
Jessica Wagoner ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
Antimalarial Drug ◽  
Artemisia Annua ◽  
Cost Effective ◽  
Hot Water ◽  
Total Flavonoids ◽  
Leaf Extracts ◽  
Artemisinin Derivatives

SARS-CoV-2 (Covid-19) globally has infected and killed millions of people. Besides remdesivir, there are no approved small molecule-based therapeutics. Here we show that extracts of the medicinal plant, Artemisia annua L., which produces the antimalarial drug artemisinin, prevents SARS-CoV-2 replication in vitro. We measured antiviral activity of dried leaf extracts of seven cultivars of A. annua sourced from four continents. Hot-water leaf extracts based on artemisinin, total flavonoids, or dry leaf mass showed antiviral activity with IC50 values of 0.1-8.7 μM, 0.01-0.14 μg, and 23.4-57.4 μg, respectively. One sample was >12 years old, but still active. While all hot water extracts were effective, concentrations of artemisinin and total flavonoids varied by nearly 100-fold in the extracts and antiviral efficacy was inversely correlated to artemisinin and total flavonoid contents. Artemisinin alone showed an estimated IC50 of about 70 μM, and antimalarial artemisinin derivatives artesunate, artemether, and dihydroartemisinin were ineffective or cytotoxic at elevated micromolar concentrations. In contrast, the antimalarial drug amodiaquine had an IC50 = 5.8 μM. The extracts had minimal effects on infection of Vero E6 or Calu-3 cells by a reporter virus pseudotyped by the SARS-CoV-2 spike protein. There was no cytotoxicity within an order of magnitude of the antiviral IC90 values. Results suggest the active component in the extracts is likely something besides artemisinin or is a combination of components acting synergistically to block post-entry viral infection. Further studies will determine in vivo efficacy to assess whether A. annua might provide a cost-effective therapeutic to treat SARS-CoV-2 infections.

scholarly journals Evaluation of Anti-inflammatory, Anti-pyretic, Analgesic, and Hepatoprotective Properties of Terminalia macroptera

2020 ◽  
Vol 07 (02) ◽  
pp. e58-e67
Author(s):  
Mahamane Haïdara ◽  
Adama Dénou ◽  
Mohamed Haddad ◽  
Aïssata Camara ◽  
Korotoumou Traoré ◽  
...  
Keyword(s):  
Traditional Medicine ◽  
High Resolution Mass Spectrometry ◽  
Biological Activities ◽  
Traditional Healers ◽  
Potential Candidate ◽  
Murine Models ◽  
Leaf Extracts ◽  
Anti Inflammatory

AbstractIn Mali, improved traditional medicines [“Médicaments Traditionnels Améliorés”] are prepared from traditionally used medicinal plants. Recently, the Department of Traditional Medicine has identified Terminalia macroptera Guill. & Perr. (Combretaceae) as a potential candidate for an improved traditional medicine. T. macroptera is a West African medicinal plant used in Mali against various health disorders, with more than 30 different indications mentioned by traditional healers, including hepatitis, gonorrhea, fever, pain relief, and various infectious diseases (Helicobacter pylori-associated diseases). To date, validation of most of the biological activities of has been mainly carried out in vitro, except for antimalarial activities. In this study, the potential anti-inflammatory, antipyretic, analgesic, and hepatoprotective properties of T. macroptera were investigated in different murine models. Administration of T. macroptera ethanolic root and leaf extracts in rats significantly reduced pyrexia, pain, inflammation, and hepatic marker enzymes such as alanine aminotransferase, aspartate aminotransferase, and alkaline phosphatase in the different murine models used (p<0.05). A phytochemical screening of T. macroptera revealed the presence of tannins, flavonoids, saponins, anthracene derivatives, sterols, triterpenes, and sugars in both leaf and root extracts as the main phytochemical compounds. This was confirmed by qualitative analysis, liquid chromatography coupled with high-resolution mass spectrometry. T. macroptera extracts demonstrated interesting in vivo antipyretic, analgesic, anti-inflammatory, and hepatoprotective activities. Therefore, T. macroptera should be proposed and further evaluated as a potential improved traditional medicine for the treatment of liver-related disorders and for the relief of pain and fever.

scholarly journals Heteronemin Suppresses Lymphangiogenesis through ARF-1 and MMP-9/VE-Cadherin/Vimentin

Biomedicines ◽  
2021 ◽  
Vol 9 (9) ◽  
pp. 1109
Author(s):  
Hsien-Lin Chen ◽  
Yu-Chieh Su ◽  
Huang-Chi Chen ◽  
Jui-Hsin Su ◽  
Chang-Yi Wu ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Growth Factor Receptor ◽  
Docking Studies ◽  
Potential Candidate ◽  
Cycle Arrest ◽  
Mouse Ear ◽  
And Migration ◽  
Endothelial Growth Factor

Lymphatic metastasis is a biological procedure associated with the pathogenesis of several diseases, especially in tumor metastasis. Therefore, regulation of lymphangiogenesis has become a promising strategy for cancer therapy. In this study, we aimed to investigate the anti-lymphangiogenic effect of heteronemin (SP-1) isolated from the sponge Hyrtios sp. in vitro and in vivo. Human lymphatic endothelial cells (LECs) were utilized to evaluate the anti-lymphangiogenic effect of SP-1 in vitro. Molecular docking, western blotting, flow-cytometry, MTT and ELISA were performed to investigate the mechanism of action. For in vivo approaches, the transgenic (fli1:EGFP; gata1:DsRed) zebrafish and mouse ear sponges were used. Molecular docking studies showed that SP-1 is a potent vascular endothelial growth factor receptor 3 (VEGFR-3)-binding compound. Treatment of LEC with SP-1 reduced the phosphorylation of VEGFR-3. SP-1 suppressed the development of the thoracic duct in zebrafish and mouse lymphangiogenesis ear sponges in vivo. Mechanistically, SP-1 induced the cell cycle arrest of LECs in the G0/G1 phase and reduced the downstream of VEGFR-3, such as phosphorylated MEK/ERK and NF-κB. In addition, SP-1 inhibited LECs’ tubulogenesis and migration through the ARF-1 and MMP-9/VE-cadherin/vimentin. Overall, anti-lymphangiogenic properties of SP-1 occur by downregulating the VEGFR-3 cascade, ARF-1 and MMP-9/VE-cadherin/vimentin. Collectively, these results proposed that SP-1 might be a potential candidate for the treatment of lymphangiogenesis-associated diseases.

scholarly journals Copperpod Plant Synthesized AgNPs Enhance Cytotoxic and Apoptotic Effect in Cancer Cell Lines

Processes ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 888
Author(s):  
Balashanmugam Pannerselvam ◽  
Devasena Thiyagarajan ◽  
Annamalai Pazhani ◽  
Kalaichelvan Pudupalayam Thangavelu ◽  
Hyung Joo Kim ◽  
...  
Keyword(s):  
A549 Cells ◽  
Cost Effective ◽  
Spectrophotometric Study ◽  
Leaf Extracts ◽  
Electron Microscopic ◽  
Ic50 Values ◽  
Microscopic Features ◽  
Cancerous Cells ◽  
Mcf 7

The utilization of biological resources on the manufacture of nano silver has attracted the interest of researchers to develop an eco-friendly, cost-effective technology in nanomaterials production. In the present study, plant-mediated silver nanoparticles (AgNPs) were synthesized using aqueous leaf extracts of the Copperpod plant, which was well characterized. The ultraviolet-visible spectrophotometric study showed a maximum absorbance peak at 425 nm, and the observation of transmission electron microscopic features revealed that the nanoparticles size ranged between 20 and 70 nm. The synthesized AgNPs were tested for in vitro cytotoxic effects against cancerous cells, such as HepG2, A549 and MCF-7 cells. The findings showed that the IC50 values of AgNPs against cancerous cells viz., HepG2, MCF-7 and A549 cells, were observed to be 69 µg/mL, 62 µg/mL and 53 µg/mL, respectively. In addition, the apoptosis property was analysed using propidium iodide and acridine orange-ethidium bromide via the DNA fragmentation technique. Thus, the outcomes of the current analysis presume that the plant mediated AgNPs obtained from a synthesized Copperpod plant possess significant anti-cancer properties against various cancerous cells.

In-vitro and In-silico analysisof anti-diabetic and anti-microbial activity of Cichorium intybus leaf extracts

2020 ◽  
Vol 16 ◽  
Author(s):  
Suganya Ramakrishnamurthy ◽  
Ganesan Singaravelu ◽  
Velmurugan Devadasan ◽  
Aruna Prakasarao
Keyword(s):  
In Silico ◽  
Ethanolic Extract ◽  
Ethanol Extract ◽  
Docking Studies ◽  
Human Pathogens ◽  
Leaf Extracts ◽  
Ligand Complex ◽  
Dynamic Simulations ◽  
In Silico Studies

Objective: To screen the selected phytochemicals against diabetes by docking studies in comparison with experimental analysis. Methods: Ethanol crude extract has been obtained from the leaves of C.intybus and its chemical compounds were identified using GC- MS. Docking studies were carried out for selected phytochemicals to find the binding affinity and H-bond interaction using Scrodinger suite. Dynamic simulations were carried out for protein ligand complex up to 50ns using desmond OPLS AA forcefield and α- Amylase and α- Glucosidase assay were carried for ethanolic extract to infer its inhibition. Results: Four compounds were chosen for induced fit docking based on the docking score and glide energy obtained from GLIDE-XP docking. The compounds were docked with the protein target human aldose reductase (PDB ID: 2FZD) for checking the anti-diabetic nature. The molecular dynamics simulations were carried out for the most favorable compounds and stability has been checked during the simulations. The ethanol extract exhibits significant α-amylase and α-glucosidase inhibitory activities with an IC50 value of 38µg and 88µg dry extract respectively and well compared with standard acarbose drug.The antimicrobial activity was also carried out for various extracts (Chloroform, Ethyl acetate and Ethanol) of the same (C. intybus) was screened against four selected human pathogens. Compared to other solvent extracts, ethanol and chloroform extract shows better inhibition and their minimal inhibitory concentration (MIC) value has been calculated. Conclusion: In-silico studies and in-vitro studies reveals that C.intybus plant compounds have more potent for treating diabetes

Oreganum Vulgare: In-vitro assessment of cytotoxicity, Molecular docking studies, Antioxidant, and evaluation of anti-inflammatory activity in LPS stimulated RAW 264.7 cells

2020 ◽  
Vol 16 ◽  
Author(s):  
Reyaz Hassan Mir ◽  
Gifty Sawhney ◽  
Rohini Verma ◽  
Bilal Ahmad ◽  
Parveen Kumar ◽  
...  
Keyword(s):  
Natural Products ◽  
Traditional Medicine ◽  
Dynamic Network ◽  
Docking Studies ◽  
Inflammatory Activity ◽  
Raw 264.7 Cells ◽  
Leaf Extracts ◽  
Anti Inflammatory ◽  
Isolated Compound

Background: Inflammation involves a dynamic network that is highly regulated by signals that initiate the inflammation process as well as signals that downregulate it. However, an imbalance between the two leads to tissue damage. Throughout the world, inflammatory disease becomes common in the aging society. The drugs which are used clinically suffer serious side effects. Natural products or compounds derived from natural products show diversity in structure and play an important role in drug discovery and development. Objective: Oreganum Vulgare is used in traditional medicine for various ailments including respiratory and rheumatic disorders, severe cold, suppression of tumors. The current study aims to evaluate the anti-inflammatory potential by evaluating various in-vitro parameters. Results: The extracts (OVEE, OVEAF) as well as the isolated compound(OVRA)of Oreganum Vulgare inhibit the proinflammatory cytokines (IL-6 and TNF-α) and NO without affecting cell viability. Conclusion: Our study established that the leaf extracts of Oreganum Vulgare exhibits anti-inflammatory activity and thus confirm its importance in traditional medicine.

scholarly journals Structure-Based In Silico Investigation of Agonists for Proteins Involved in Breast Cancer

2022 ◽  
Vol 2022 ◽  
pp. 1-12
Author(s):  
Arpita Roy ◽  
Ashutosh Anand ◽  
Saksham Garg ◽  
Mohd Shahnawaz Khan ◽  
Sidharth Bhasin ◽  
...  
Keyword(s):  
Breast Cancer ◽  
Cost Effective ◽  
Docking Studies ◽  
Current Treatment ◽  
World Health ◽  
Tinospora Cordifolia ◽  
Lipinski’S Rule ◽  
Lead Compounds ◽  
Health Organization

Cancer is recognized as one of the main causes of mortality worldwide by the World Health Organization. The high cost of currently available cancer therapy and certain limitations of current treatment make it necessary to search for novel, cost-effective, and efficient methods of cancer treatment. Therefore, in the current investigation, sixty-two compounds from five medicinal plants (Tinospora cordifolia, Ocimum tenuiflorum, Podophyllum hexandrum, Andrographis paniculata, and Beta vulgaris) and two proteins that are associated with breast cancer, i.e., HER4/ErbB4 kinase and ERα were selected. Selected compounds were screened using Lipinski’s rule, which resulted in eighteen molecules being ruled out. The remaining forty-four compounds were then taken forward for docking studies followed by molecular dynamics studies of the best screened complexes. Results showed that isocolumbin, isopropylideneandrographolide, and 14-acetylandrographolide were potential lead compounds against the selected breast cancer receptors. Furthermore, in vitro studies are required to confirm the efficacy of the lead compounds.

Phytochemical analysis and salivary amylase inhibition activities of Carica papaya leaf and Garcinia mangostana pericarp extracts and partially purified fractions

2017 ◽  
Vol 6 (1) ◽  
pp. 34
Author(s):  
Michael Russelle Alvarez ◽  
Paolo Robert Bueno ◽  
Raymond Oliver Cruz ◽  
Richard Macapulay ◽  
Francis Jayson Vallesfin ◽  
...  
Keyword(s):  
Crude Extract ◽  
Carica Papaya ◽  
Uv Light ◽  
Digestive Enzyme ◽  
Phytochemical Analysis ◽  
Phytochemical Screening ◽  
Salivary Amylase ◽  
Garcinia Mangostana ◽  
Leaf Extracts

Plant-derived digestive enzyme inhibitors particularly those targeted to carbohydrate metabolism has been the focus of recent studies as natural supplements for weight control and diabetes. The present study explores the salivary amylase inhibition activity of Garcinia mangostana (Linn.) pericarp extracts and Carica papaya (Linn.) leaf extracts and fractions, as well as perform phytochemical screening and quantification, and thin layer – and high performance liquid chromatographic profiling. ­Results show that crude extracts and purified fractions were able to inhibit salivary amylase, with C. papaya fraction 1 being the most active at 30.89% inhibition. Phytochemical screening of all extracts tested ­positive for tannins, glycosides, phenolics, flavonoids and alkaloids. Quantification of phenolics showed that extracts contained high levels of phenolics, with C. papaya crude extract having the highest content with 219.0±12.7 mg GAE/g extract followed by G. mangostana crude extract with 247.1±18.0 mg GAE/g extract. Quantification of total flavonoids also showed C. papaya crude extract to contain the highest content with 55.12±0.679 mg QE/g extract. All extracts contained negligible alkaloid content, though. HPLC and TLC profiling showed several peaks and bands, when viewed in 210 nm and UV light, respectively. These results demonstrate in vitro the salivary amylase inhibitory activity of both plants and their potential as antidiabetic drug candidates; however, further studies need to be done, like isolation and structure elucidation of active components and toxicity assays. Keywords: Amylase inhibition, phytochemical quantification, Carica papaya, Garcinia mangostana

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