In silico Screening of Violacein as an epidermal growth factor receptor inhibitor

EGFR is a key player in the signalling cascades of various kinds of cancers and tyrosine kinase inhibitors block EGFR signalling. Natural products have long been used as candidates for therapy in the management of cancer. Violacein, a bacterial pigment, has been known for its numerous biological applications such as antimicrobial, antileishmanial, antiviral, as well as antitumoral. Computational studies have concluded that it may have activity against cancers like pancreatic cancer, thyroid cancer, colorectal cancer, and endometrial cancer indicating its potential application as a broad range of anti-cancerous drug. This study aimed to perform the molecular docking of violacein with the EGFR protein to ascertain its EGFR inhibitor property, which could lead to the development of a novel anti-cancer drug

Phytochemical and Bioactive Properties of Phlogacanthus and Andrographis Genus Plants: Potential for Post-Pandemic Home Remedies

This study aimed to differentiate the morphological characteristics, chemical constituents, and bioactive potential of Acanthaceae family plants, specifically three Phlogacanthus species and Andrographis paniculata. Under identical conditions, cutting stock plant of three Phlogacanthus species (Dee pla kung, Hom chang, and Cha hom) and Andrographis paniculata (Fah talai jone) were pruned and cultivated at the Chiang Mai Royal Agricultural Research Center. The morphology, biomass yield, and growth rates of the plants were observed after 90 days. Methanolic extracts of the dried aerial parts of these plants were analyzed for bioactive compounds, such as total phenolic content (TPC), total flavonoid content (TFC), total lactone content (TLC), and antioxidant activities (DPPH, ABTS, and FRAP assays). The results revealed that Hom chang had the maximum relative growth rate (RGR) of 2.64 x 10-3 cm/cm/day among the plants, as determined by the morphology analysis. Cha hom and Dee pla kung, on the other hand, had substantially greater biomass yields than the other species. Regarding chemical properties, Dee pla kung exhibited high TPC (13.66 ± 0.10 mg GAE/g), TFC (17.25 ± 0.31 mg CE/g), and TLC (9.57 ± 0.59%). In addition, Dee pla kung, a species of Phlogacanthus, exhibited significant antioxidant activity and was comparable to Fah talai jone (genus Andrographis) in terms of biomass yield and chemical properties. These findings lay the groundwork for creating future herbal remedies from local plants and their potential use in the medicinal industry

In silico examination of peptides containing selenium and ebselen Backbone To Assess Their Tumoricidal Potential

Introduction: Cancer has been one of the highest causes of morbidity and mortality in the world for decades. Owing to improved therapeutics along with detection, breast cancer mortality has been slowly reducing. The incidence of breast cancer, on the other hand, has increased gradually. More than 100 types of cancer have been identified with a wide range of treatment protocols comprising of chemotherapy, radiation therapy, hormone therapy, etc. In an attempt to curb the serious deleterious effects caused by the chemotherapeutic drugs, numerous peptide molecules are currently popular as alternatives to the standard chemotherapeutic drugs. Methods: In this study, we have carried out in silico investigations to ascertain the anti-proliferative potential of novel peptides based on selenium and ebselen, i.e. Eb-Trp-Asp, 13, Eb-Trp-Glu, 14, and Eb-Trp-Lys, 15. Analysis of protein-ligand interactions, resulting in protein-ligand complex formation, has been carried out using the AutoDockVina in PyRx aided molecular docking technique, which may be an essential indication of druggability of the test peptides. Results: The molecular docking results revealed that the screened ligands had extraordinarily strong binding interactions and affinity for the target. Conclusion: Findings suggested that novel peptide molecule Eb-Trp-Glu, 14 may be a potent anticancer agent

Quercetin activates vitamin D receptor and ameliorates breast cancer induced hepatic inflammation and fibrosis

AimsTo explore the hepatoprotective role of quercetin and its novel molecular mechanism of action on breast cancer associated hepatic inflammation and fibrosis via Vitamin D receptor (VDR).Main methodsWe used Ehrlich Ascites Carcinoma (mouse mammary carcinoma) model for our in-vivo experiments and human breast cancer cell lines for in-vitro assays. We inoculated 1.5 × 106 Ehrlich ascites carcinoma cells into female Swiss albino mice. Quercetin (50 mg/kg) was administered intraperitoneally for 15 days. Liver enzymes activity was determined using a spectrophotometric assay. The hallmarks of inflammation and fibrosis were determined using Immunohistochemistry. The effect of quercetin on tumor formation was elucidated using human breast cancer cell lines and chick chorioallantoic membrane assay. Docking study was performed to explore the binding mode of quercetin with VDR.Key findingsIn EAC tumor-bearing mice, cell numbers, tumor volume, body weight and liver weight were dramatically increased, while they significantly decreased in mice treated with quercetin. Additionally, the peritoneal neo-angiogenesis was also significantly suppressed in the quercetin-treated mice, compared to the control. In addition, quercetin treated EAC tumor bearing mice had lower levels of liver enzymes, decreased hepatic inflammation and fibrosis compared with EAC tumor bearing mice. Docking study confirmed VDR-quercetin interaction. Furthermore, in-vitro assays and chick chorioallantoic membrane assay revealed the Vitamin D mimicking effect of quercetin.SignificanceDietary flavonoid, quercetin could act as a promising therapeutic drug to suppress the breast cancer induced tumor angiogenesis, hepatic inflammation, and fibrosis possibly via activation of VDR

Genistein: A Potent Anti-Breast Cancer Agent

Genistein is an isoflavonoid present in high quantities in soybeans. Possessing a wide range of bioactives, it is being studied extensively for its tumoricidal effects. Investigations into mechanisms of the anti-cancer activity have revealed many pathways including induction of cell proliferation, suppression of tyrosine kinases, regulation of Hedgehog-Gli1 signaling, modulation of epigenetic activities, seizing of cell cycle and Akt and MEK signaling pathways, among others via which the cancer cell proliferation can be controlled. Notwithstanding, the observed activities have been time- and dose-dependent. In addition, genistein has also shown varying results in women depending on the physiological parameters, such as the early or post-menopausal states

Melanin and bacteriocin from marine bacteria inhibit biofilms of foodborne pathogens

392-399Biofilms are widespread and a bane in food based industry for being associated with the outbreaks of several food related diseases. Biofilms are also a cause for concern for their resistance to antimicrobial agents. In the present study, the biocontrol of biofilm forming food pathogens was achieved using two bioactive compounds, namely, melanin and bacteriocin, obtained from marine bacteria. Partially purified melanin and bacteriocin BL8 were observed to show great reduction in the biofilm formation of food pathogens, even in minute quantities, and showed high antibiofilm activity. Multiple antibiotic resistance (MAR) index showed the multiple resistance of nine food pathogens. FTIR spectrum of the melanin used in the study showed two peaks, which are the characteristic features of standard melanin IR spectrum. Scanning electron micrographs showed the variation in the microbial mass and biofilm formation before and after treatment with the two bioactive compounds, evidently showing their antibiofilm activity

Virtual Screening and Quantitative Structure–Activity Relationship of Moringa oleifera with Melanoma Antigen A (MAGE-A) Genes against the Therapeutics of Non-Small Cell Lung Cancers (NSCLCs)

In the last decade, there have been significant advancements in the treatment of non-small cell lung cancer, including remarkable gains in detection, diagnosis, and therapy. The emergence of molecular targeted therapies, immunotherapeutic inhibitors, and antiangiogenesis medicines has largely fueled improvements in combination therapy and systemic treatments, all of which have dramatically ameliorated patient outcomes. The Moringa oleifera bioactive compounds have been effective in the suppression of cancers, making them the therapeutic agents of choice for the current investigation to treat MAGE-A presented in NSCLC. The ligand entrants were screened for their pharmacological properties, and 2,2-diphenyl-1,3-benzodioxole was stipulated as the lead candidate. 2,2-Diphenyl-1,3-benzodioxole exhibited better pharmacological properties and superior binding with branched-chain amino acids, making it an ideal candidate to address MAGE-A. The study concluded that addressing MAGE-A to impede their activity and antigenicity can be exploited as immunotarget(s)