Sajitha Lulu

Bio: Sajitha Lulu is an academic researcher from VIT University. The author has contributed to research in topics: Virtual screening & Docking (molecular). The author has an hindex of 9, co-authored 29 publications receiving 196 citations.

Degradation of reactive green dye and textile effluent by Candida sp. VITJASS isolated from wetland paddy rhizosphere soil

Abstract: Pollution by the release of dye containing wastewater has been alarming worldwide. Biodegradation of reactive green dye and textile effluent by Candida sp. VITJASS was investigated in dynamic condition. Paddy rhizosphere yeast Candida sp. VITJASS showed 84% removal of reactive green dye and 75% reduction in ADMI of textile effluent with a considerable synthesis of oxido-reductase enzymes. The degraded products were analyzed by UV–vis spectroscopy, HPLC and FTIR, which indicated the biotransformation of dye into non-toxic metabolites. GC–MS analysis revealed the formation of Diphenylmethane as potential end product. Phytotoxicity assessment on Phaseolus mungo seeds suggested the non- toxic nature of extracted metabolite. Toxicity studies on zebrafish revealed disturbed cellular integrity and disruption of tissues with crude dye supplementation. However, the degraded metabolites by VITJASS had an intact lumen morphology in the fishes. Thus, the present study depicts the augmentation of yeast strain to be efficacious and promising for degradation of dye with the synthesis of non-toxic metabolites.

Synthesis, docking, and evaluation of novel thiazoles for potent antidiabetic activity

Abstract: In this study, a series of novel substituted pyrazoles containing indole and thiazole motifs were synthesized and evaluated for their antihyperglycemic activity against α-amylase and α-glucosidase enzymes. Among them, 2-(5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-1-yl)-4-(4-bromo phenyl) thiazole (3f) was identified as the best antihyperglycemic activity (IC50 = 236.1 µg/mL) in comparison with the standard drug (acarbose, IC50 = 171.8 µg/mL). Through reverse screening, glucocorticoid receptor (1NHZ) was identified as the best target and molecular docking studies was performed to understand the interaction of the molecules to the active sites of 1NHZ. The docking study was then conducted against the enzymes (α-amylase (4X9Y) and α-glucosidase (2QMJ)) used in the in vitro studies. A molecular dynamic simulation experiment was conducted to analyze the behavior of the docked complex. The analysis confirmed the stability of the docked complex in terms of energy and hydrogen bonds. In vitro and in silico evaluations thus generate an interesting insight toward exploring heteroaryl substituted pyrazoles as potent therapeutic antidiabetic agents.

Beneficial effects of naringenin in liver diseases: Molecular mechanisms

Abstract: Liver diseases are caused by different etiological agents, mainly alcohol consumption, viruses, drug intoxication or malnutrition. Frequently, liver diseases are initiated by oxidative stress and inflammation that lead to the excessive production of extracellular matrix (ECM), followed by a progression to fibrosis, cirrhosis and hepatocellular carcinoma (HCC). It has been reported that some natural products display hepatoprotective properties. Naringenin is a flavonoid with antioxidant, antifibrogenic, anti-inflammatory and anticancer properties that is capable of preventing liver damage caused by different agents. The main protective effects of naringenin in liver diseases are the inhibition of oxidative stress, transforming growth factor (TGF-β) pathway and the prevention of the transdifferentiation of hepatic stellate cells (HSC), leading to decreased collagen synthesis. Other effects include the inhibition of the mitogen activated protein kinase (MAPK), toll-like receptor (TLR) and TGF-β non-canonical pathways, the inhibition of which further results in a strong reduction in ECM synthesis and deposition. In addition, naringenin has shown beneficial effects on nonalcoholic fatty liver disease (NAFLD) through the regulation of lipid metabolism, modulating the synthesis and oxidation of lipids and cholesterol. Moreover, naringenin protects from HCC, since it inhibits growth factors such as TGF-β and vascular endothelial growth factor (VEGF), inducing apoptosis and regulating MAPK pathways. Naringenin is safe and acts by targeting multiple proteins. However, it possesses low bioavailability and high intestinal metabolism. In this regard, formulations, such as nanoparticles or liposomes, have been developed to improve naringenin bioavailability. We conclude that naringenin should be considered in the future as an important candidate in the treatment of different liver diseases.

Prediction of MHC-peptide binding: a systematic and comprehensive overview.

Abstract: T cell immune responses are driven by the recognition of peptide antigens (T cell epitopes) that are bound to major histocompatibility complex (MHC) molecules. T cell epitope immunogenicity is thus contingent on several events, including appropriate and effective processing of the peptide from its protein source, stable peptide binding to the MHC molecule, and recognition of the MHC-bound peptide by the T cell receptor. Of these three hallmarks, MHC-peptide binding is the most selective event that determines T cell epitopes. Therefore, prediction of MHC-peptide binding constitutes the principal basis for anticipating potential T cell epitopes. The tremendous relevance of epitope identification in vaccine design and in the monitoring of T cell responses has spurred the development of many computational methods for predicting MHC-peptide binding that improve the efficiency and economics of T cell epitope identification. In this report, we will systematically examine the available methods for predicting MHC-peptide binding and discuss their most relevant advantages and drawbacks.