Chemical analysis and in silico anticancer and anti-inflammatory potentials of bioactive compounds from Moringaoleifera seed oil

2020 ◽  
Author(s):  
Victor O. Apeh ◽  
Emeka Asogwa ◽  
Felicia I. Chukwuma ◽  
Obiora F. Okonkwo ◽  
Florence Nwora ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
Bioactive Compounds ◽  
In Silico ◽  
Seed Oil ◽  
Anti Inflammatory

In vitro and in silico elucidation of antidiabetic and anti-inflammatory activities of bioactive compounds from Momordica charantia L.

2019 ◽  
Vol 27 (14) ◽  
pp. 3097-3109 ◽  
Author(s):  
Siddanagouda R. Shivanagoudra ◽  
Wilmer H. Perera ◽  
Jose L. Perez ◽  
Giridhar Athrey ◽  
Yuxiang Sun ◽  
...  
Keyword(s):  
Bioactive Compounds ◽  
In Silico ◽  
Momordica Charantia ◽  
Anti Inflammatory

scholarly journals An Insight of Co-Encapsulation Nigella sativa and Cosmos caudatus Kunth Extracts as Anti-Inflammatory Agent Through In Silico Study

2021 ◽  
Vol 24 (5) ◽  
pp. 152-160
Author(s):  
Nadiyah Zuhroh ◽  
Zubaidah Ningsih ◽  
Anna Safitri
Keyword(s):  
Bioactive Compounds ◽  
In Silico ◽  
Nigella Sativa ◽  
In Vivo Studies ◽  
Drug Candidate ◽  
Active Compounds ◽  
Cosmos Caudatus ◽  
Cox 2 ◽  
Anti Inflammatory ◽  
Cox 1

This study analyzes anti-inflammatory activity from extracts of Nigella sativa and Cosmos caudatus Kunth co-encapsulated through in silico molecular docking. The LC-MS results revealed that extracts of N. sativa mostly contained thymoquinone and alpha-hederin, whereas quercetin and kaempferol were the major compounds in C. caudatus K. Nevertheless, the bioactive compounds are usually susceptible to degradation by exposure to light, heat, oxygen, which may limit its biological activity. Therefore, encapsulation is one of the promising techniques to protect bioactive compounds. Ligands were encapsulated with chitosan and sodium tripolyphosphate as wall materials. Cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) as the target enzymes were docked with a combination of these active compounds (non-encapsulated and encapsulated), using the HEX 8.0 program, and visualized using the Discovery studio visualizer software v16.1.0.15350. Interestingly, docking results of the combination of encapsulated ligands showed no interactions to COX-1 but interacted with COX-2. Therefore, co-encapsulation of extracts combinations has been suggested to act as anti-inflammatory agents targeted specifically to the COX-2 enzyme. The total energy of the encapsulated of combination of extract compounds to COX-2 were -1425.88 (mol/cal) for thymoquinone + quercetin; -1435.87 (mol/cal) for thymoquinone + kaempferol; 1175.97 (mol/cal) for quercetin + alpha hederin; -957.74 (mol/cal) for kaempferol + alpha hederin; and -283.3 (mol/cal) for diclofenac sodium, as a control NSAID drug. These suggest that encapsulated active compounds in N. sativa and C. caudatus K. have potency as a drug candidate for the selective NSAIDs category, which can be subjected to further in vitro and in vivo studies.

scholarly journals Identification of Fungal Bioactive Compounds Targeting MMP-9 for Endometriosis- An In silico Approach

2021 ◽  
pp. 75-88
Author(s):  
Farnaz Nabiya ◽  
C. Anchana Devi ◽  
M. Rajamiriyam
Keyword(s):  
Binding Energy ◽  
Matrix Metalloproteinase ◽  
Bioactive Compounds ◽  
In Silico ◽  
Reproductive Age ◽  
Therapeutic Drug ◽  
Energy Value ◽  
Control Drug ◽  
Ergosterol Peroxide ◽  
Anti Inflammatory

Background: Endometriosis is a chronic inflammatory disease of the female reproductive system characterized by the presence of endometrial tissue outside the uterus that affects 5 to 10% of women of reproductive age, which is approximately 176 million women in the world. The women suffering from endometriosis have been reported to have high levels of matrix metalloproteinase (especially MMP-9) which regulates the inflammatory process. Thus, the aim of this study is to investigate the naturally available anti-inflammatory fungal compounds that can target the MMP-9 by various in silico approaches. Methodology: A wide variety of anti-inflammatory bioactive compounds were screened and five compounds were further selected based on ‘Lipinski’s rule of five’ using the PubChem database. The bioavailability, pharmacokinetics, ADMET properties and biological activity of these compounds were predicted computationally using databases such as SWISS-ADME, PubChem, pkCSM and PASS. The target 1L6J (Crystal structure of human matrix metalloproteinase MMP-9) structure was retrieved from the PDB database. Comparative analysis of the bioactive compounds with the target was performed by AutoDock 4.2.6 and further visualisation of the target residues interacting with the compounds was performed using LigPlot v.2. 2. tool. Results: Based on the docking results, the compounds namely, Ergosterol peroxide, Lovastatin, Javanicin, Asperlin and Ergothioneine exhibited binding energy value of -10.25 kcal/mol, -8.4 kcal/mol, -7.64 kcal/mol, -7.07 kcal/mol and -6.19 kcal/mol respectively whereas Elagolix (control drug) exhibited binding energy value of -4.88 kcal/mol, thus, indicating that the selected bioactive compounds were seen to have better binding energy comparative to the control drug.  Conclusion: Ergosterol peroxide derived from edible mushroom might act as a potential lead compound for designing a therapeutic drug for treating endometriosis and this compound can further be explored to evaluate its level of toxicity and efficacy in the wet laboratory studies by in vitro and in vivo methods.

scholarly journals Antioxidant, Anti-Inflammatory and Anticancer Activities of Methanolic Extract of Thottea siliquosa: An In Vitro and In Silico Study

2021 ◽  
Vol 16 ◽  
Author(s):  
Amrutha Koottasseri ◽  
Amal Babu ◽  
Anna Augustin ◽  
Joice Tom Job ◽  
Arunaksharan Narayanankutty
Keyword(s):  
Breast Cancer ◽  
Oxidative Stress ◽  
Nitric Oxide ◽  
Cancer Cells ◽  
Bioactive Compounds ◽  
In Silico ◽  
Breast Cancer Cells ◽  
Radical Scavenging ◽  
Lipoxygenase Inhibition ◽  
Anti Inflammatory

Background: Oxidative stress and inflammation are the predominant cause of chronic diseases including multiple forms of cancers. Due to the prominent roles, prevention of these oxidative stress and inflammation is considered to be a target for preventing these disorders. Various natural products and plant extracts prevent the process of free radical-induced damages. Objectives: The present study evaluated the biological properties of Thottea siliquosa, belonging to the family Aristolochiaceae, which is a traditionally used Ayurvedic plant. Methods: Antioxidant assays carried out were DPPH, FRAP, hydrogen peroxide scavenging, and hemolysis inhibition assay; nitric oxide and lipoxygenase inhibition assays were used for anti-inflammatory studies. Anticancer activity was done using human endometrial and breast cancer cells by MTT assay. Bioactive compounds present in T. siliquosa were identified by LCMS and each was docked with various cancer targets including EGFR, VEGFR, GST, COX2, and Lipooxygenase. Results: The results of the present study showed antioxidant properties for the methanolic crude extract of T. siliquosa as DPPH radical scavenging (110.40 ± 4.5µg/mL), FRAP capacity (41.1 ± 6.2), peroxide scavenging (233.4 ± 14.2µg/mL). Besides, anti-inflammatory properties are also evident in terms of nitric oxide radical scavenging (28.76± 3.9 µg/mL) and lipoxygenase inhibition (39.2 ± 3.2µg/mL) assays. In silico analysis confirmed the inhibitory potential of the bioactive compounds of T. siliquosa against cancer drug targets such as EGFR, VEGFR, and inflammatory enzymes cyclooxygenase as well as lipooxygenase. Further, the anticancer activity of the extract has been identified against human endometrial and breast cancer cells. The possible mechanism of anticancer action of the extract is mediated through the apoptosis induction mediated through increased caspase and APAF-1 expression. Conclusion: The study thus concludes that T. siliquosa showed significant antioxidant, anti-inflammatory and anticancer properties. Further studies together with a bioassay-guided fractionation may identify possible bioactive compounds.

Pharmacologically potentials of different substituted coumarin derivatives

2019 ◽  
Author(s):  
Chem Int
Keyword(s):  
Benzene Ring ◽  
Bioactive Compounds ◽  
Biological Activities ◽  
Pharmacological Properties ◽  
Coumarin Derivatives ◽  
Wide Range ◽  
Anti Oxidant ◽  
Anti Inflammatory ◽  
Coumarin Compounds

Coumarin and its derivatives are widely spread in nature. Coumarin goes to agroup as benzopyrones, which consists of a benzene ring connected to a pyronemoiety. Coumarins displayed a broad range of pharmacologically useful profile.Coumarins are considered as a promising group of bioactive compounds thatexhibited a wide range of biological activities like anti-microbial, anti-viral,antiparasitic, anti-helmintic, analgesic, anti-inflammatory, anti-diabetic, anticancer,anti-oxidant, anti-proliferative, anti-convulsant, and antihypertensiveactivities etc. The coumarin compounds have immense interest due to theirdiverse pharmacological properties. In particular, these biological activities makecoumarin compounds more attractive and testing as novel therapeuticcompounds.

scholarly journals Phytochemicals and Biological Activity of Desert Date (Balanites aegyptiaca (L.) Delile)

Plants ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 32
Author(s):  
Hosakatte Niranjana Murthy ◽  
Guggalada Govardhana Yadav ◽  
Yaser Hassan Dewir ◽  
Abdullah Ibrahim
Keyword(s):  
Biological Activity ◽  
Middle East ◽  
Bioactive Compounds ◽  
Phenolic Acids ◽  
Tree Species ◽  
Indian Subcontinent ◽  
Therapeutic Agents ◽  
Root Bark ◽  
Balanites Aegyptiaca ◽  
Anti Inflammatory

Many underutilized tree species are good sources of food, fodder and possible therapeutic agents. Balanites aegyptiaca (L.) Delile belongs to the Zygophyllaceae family and is popularly known as “desert date”, reflecting its edible fruits. This tree grows naturally in Africa, the Middle East and the Indian subcontinent. Local inhabitants use fruits, leaves, roots, stem and root bark of the species for the treatment of various ailments. Several research studies demonstrate that extracts and phytochemicals isolated from desert date display antioxidant, anticancer, antidiabetic, anti-inflammatory, antimicrobial, hepatoprotective and molluscicidal activities. Mesocarp of fruits, seeds, leaves, stem and root bark are rich sources of saponins. These tissues are also rich in phenolic acids, flavonoids, coumarins, alkaloids and polysterols. Some constituents show antioxidant, anticancer and antidiabetic properties. The objective of this review is to summarize studies on diverse bioactive compounds and the beneficial properties of B. aegyptiaca.

scholarly journals Pharmacological Insights into Halophyte Bioactive Extract Action on Anti-Inflammatory, Pain Relief and Antibiotics-Type Mechanisms

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3140
Author(s):  
Rocco Giordano ◽  
Zeinab Saii ◽  
Malthe Fredsgaard ◽  
Laura Sini Sofia Hulkko ◽  
Thomas Bouet Guldbæk Poulsen ◽  
...  
Keyword(s):  
Pain Relief ◽  
Bioactive Compounds ◽  
Biomedical Applications ◽  
Medicinal Products ◽  
Salt Tolerant ◽  
Salicornia Europaea ◽  
Pharmacological Activities ◽  
Sustainable Resources ◽  
Anti Inflammatory ◽  
Significant Attention

The pharmacological activities in bioactive plant extracts play an increasing role in sustainable resources for valorization and biomedical applications. Bioactive phytochemicals, including natural compounds, secondary metabolites and their derivatives, have attracted significant attention for use in both medicinal products and cosmetic products. Our review highlights the pharmacological mode-of-action and current biomedical applications of key bioactive compounds applied as anti-inflammatory, bactericidal with antibiotics effects, and pain relief purposes in controlled clinical studies or preclinical studies. In this systematic review, the availability of bioactive compounds from several salt-tolerant plant species, mainly focusing on the three promising species Aster tripolium, Crithmum maritimum and Salicornia europaea, are summarized and discussed. All three of them have been widely used in natural folk medicines and are now in the focus for future nutraceutical and pharmacological applications.

Sign in / Sign up

Export Citation Format

Share Document