Manipal University

About: Manipal University is a education organization based out in Manipal, Karnataka, India. It is known for research contribution in the topics: Population & Medicine. The organization has 9525 authors who have published 11207 publications receiving 110687 citations.

Design and synthesis of 2-quinolones as antioxidants and antimicrobials: a rational approach

Abstract: As an important class of compounds, 2-quinolones are isomeric to 4-quinolones and isosteric to coumarins. The compounds that have 2-quinolone moiety are associated with interesting biologic activities such as antibacterial, anticancer, antiviral, cardiotonic, and N-methyl-D-aspartate receptor inhibitor functions, among others. In the current study, based on the rational approach, lead molecules of the 2-quinolone skeleton were designed for binding to the bacterial DNA gyrase subunit A. Docking simulations and quantitative structure activity relationship (QSAR) analysis were performed using the Molegro Virtual Docker and Sarchitech softwares. Based on these studies, the 7-amino-4-methylquinolin-2(1H)-one parent compound and its carboxamides (JST 1–15) were synthesized using Conrad Limpach synthesis. The synthesized test compounds then were characterized by thin-layer chromatography and melting point determination, as well as by ultraviolet, infrared (IR), 1H-NMR, and MS studies. All synthesized and purified compounds were tested for antioxidant and antibacterial activity.

Synthesis, anticancer activity and docking of some substituted benzothiazoles as tyrosine kinase inhibitors

Abstract: Protein tyrosine kinases occupy a central position in the control of cellular proliferation and its inactivation might lead to the discovery of a new generation anticancer compounds. Substituted benzothiazoles have been found to mimic the ATP-competitive binding of genistein and quercetin to tyrosine kinase. A series of novel 2-phenyl-1,3-benzothiazoles were synthesized and characterised by IR, 1 H NMR and mass spectroscopy. All the compounds were tested for their anticancer activity against MCF-7 breast cancer cell line with the MTT assay. Most of the compounds showed moderate to good anti-breast cancer activity. Anticancer activity varied with substitution on the benzothiazole nucleus with halogens and at 4 position, substitution of the 2-phenyl moiety with methyl and methoxy groups was also explored. Among the compounds tested with MTT assay, mono fluoro substitution on benzothiazole nucleus and 4′-methyl variations at 2-phenyl position demonstrated highest percent growth inhibition of MCF-7 cells. Docking studies of the synthesised compounds was done on EGFR using GRIP batch docking method to study their observed activity.

A review on adsorptive removal of dyes from wastewater by hydroxyapatite nanocomposites

Abstract: Dye removal from wastewater is of prominence due to its hostile effects on human health and the environment. The complex structure of the dye molecule is responsible for its difficulty in removal. Adsorption is found to be a promising technique to eliminate dye wastes due to its high removal capacity at low concentration. Among different adsorbents used, hydroxyapatite is a biocompatible adsorbent that is relatively efficient in both anionic and cationic dye removal. Recently, modification of hydroxyapatite by doping with other materials to increase its removal efficiency has gained much attention. This review summarizes compilation of recent literature on the removal of anionic and cationic dye by different hydroxyapatite nanocomposites, comparison of adsorption capacities of different hydroxyapatite nanocomposites, the possible adsorption mechanism of removal of dyes, the general isotherm, and kinetic and thermodynamic studies explaining the type of adsorption and the characteristics, advantages, and limitations of adsorbents.

Ketorolac salt is a newly discovered DDX3 inhibitor to treat oral cancer.

Abstract: DDX3 belongs to DEAD box RNA helicase family and is involved in the progression of several types of cancer. In this work, we employed a High Throughput Virtual screening approach to identify bioactive compounds against DDX3 from ZINC natural database. Ketorolac salt was selected based on its binding free energy less than or equals to −5 Kcal/mol with reference to existing synthetic DDX3 inhibitors and strong hydrogen bond interactions as similar to crystallized DDX3 protein (2I4I). The anti-cancer activity of Ketorolac salt against DDX3 was tested using oral squamous cell carcinoma (OSCC) cell lines. This compound significantly down regulated the expression of DDX3 in human OSCC line (H357) and the half maximal growth inhibitory concentration (IC50) of Ketorolac salt in H357 cell line is 2.6 µM. Ketorolac salt also inhibited the ATP hydrolysis by directly interacting with DDX3. More importantly, we observed decreased number of neoplastic tongue lesions and reduced lesion severity in Ketorolac salt treated groups in a carcinogen induced tongue tumor mouse model. Taken together, our result demonstrates that Ketorolac salt is a newly discovered bioactive compound against DDX3 and this compound can be used as an ideal drug candidate to treat DDX3 associated oral cancer.

Design and evaluation of matrix type and membrane controlled transdermal delivery systems of nicotine suitable for use in smoking cessation

Abstract: The availability of nicotine-replacement therapies is very low in India, as there are only a few importers. Currently, negligible forms of transdermal patches are available, they are expensive, and not easily accessible to the common man. In this study, an attempt was made to develop transdermal patches of nicotine, which are cost effective and conducive to the Indian market. Two types of patches, monolayered and bilayered, were prepared. The monolayered patch bore a rate- controlling membrane, whereas the bilayered, served as matrix type. The physical charecteristics of the patches were evaluated by standard techniques. The drug content was found to be uniform in the patches. In vitro release studies of transdermal patches showed a biphasic release pattern, with diffusion as the dominating mechanism of drug release for the matrix type, while the membrane-controlled released nicotine, gradually over the 24 h study.