Posted by admin on Mar 1, 2016 in |
3D-QSAR models of Comparative of Molecular Field Analysis (CoMFA) and Comparative of Molecular Similarity Indices Analysis (CoMSIA) of 44 potent p56lck inhibitors were performed. The conventional ligand-based 3D-QSAR studies were performed for a series of Benzothiazole derivatives as p56lck inhibitors. The model gave q2 values of 0.710 and 0.642, r2 values of 0.966 and 0.956 for CoMFA and CoMSIA, respectively. The predictive ability of the models was validated using the external test set of 10 compounds that were not included in the training set of 34 molecules. These results provided better understanding of the relationship between the structural features of p56lck inhibitors and its activities, which should be applicable to design and find new potential p56lck...
Read More
Posted by admin on Mar 1, 2016 in |
The poor bioavailability of ophthalmic solutions caused by dilution and drainage from the eye can be overcome by using in situ forming ophthalmic drug delivery system prepared from polymer that exhibit reversible liquid–gel phase transition. The objective of the study was to develop optimized formulation of in situ ophthalmic gel of Epinastine hydrochloride, an antihistaminic drug, using a pH triggered polymer, Carbopol as a gelling polymer and HPMC E-50LV (hydroxyl propyl methyl cellulose) as release retardant. The 32 full factorial design was employed to optimize the formulation considering Carbopol and HPMC as independent variables. The formulations were assessed for appearance, gelling ability, sterility, pH, drug content, viscosity, release through cellophane membrane & corneal membrane of goat, ocular irritation study & stability study as per ICH guidelines. Formulations F3 and F7 were found to be the good formulations from the nine formulations developed by 32 factorial design. The study revealed that the in situ system of epinastine hydrochloride sustained the effect of drug to 12 hours. The formulations F3 and...
Read More
Posted by admin on Mar 1, 2016 in |
Emergence of Mycobacteria that are resistant to common antibiotics necessitate development of novel antibacterial drugs. The complexity of mycobacterial cell envelope plays an important role in its defense against antimicrobial activity of human immune system. The cell wall of Mycobacteria constitutes a set of carbohydrate-containing molecules. Glycosyltransferases, the glycan processing enzymes play a significant role in assembling these moieties. Targeting these enzymes could therefore interfere with the virulence of the pathogen thus leading to non-proliferation or its death. The significant role of these enzymes makes them novel targets for drug action. Natural products are important sources of pharmacologically relevant compounds. The present study has been undertaken to evaluate the inhibition potential of selected phytochemicals against glycosyltransferases of Mycobacterium. Fourteen antimicrobial phytochemicals were selected from the NCBI Pubchem Database. These phytochemicals were further screened using Lipinski’s rule of five. Molecular docking was performed to identify new potential inhibitors against Mycobacterial glycosyltransferases using Discovery studio 4.0 with these compounds. These sets of phytochemicals were further screened for toxicity using ADMET descriptors....
Read More
Posted by admin on Mar 1, 2016 in |
Cefixime is more effective in treating multi drug resistant typhoid fever but the major limitation was its poor bioavailability with short half- life. The present investigation was attempted to develop a natural polymer based nanoparticles containing cefixime using gum kondagogu and chitosan as polymers for customising the drug release profile to achieve an effective therapeutic concentration by increasing its solubility and bioavailability. The cefixime nanoparticles were prepared by the modified coacervation method and evaluated for particle size, zeta potential, morphological studies (SEM, TEM and AFM), entrapment efficiency, in-vitro drug release studies and in-vitro antimicrobial efficiency studies. The prepared drug nanoparticles found to be average mean particle size in range from 80.6±3.5 to 230.6±7.3nm and entrapment efficiency was found to be 78.0±1.5 to 93.2±2.5%. The in-vitro drug release showed a biphasic pattern with initial burst release followed by sustained drug release up to 32h. The MIC50 of prepared formulation was one fold lesser than pure cefixime for Salmonella Typhi isolates. The disc agar diffusion (DAD) test confers that the zone...
Read More
Posted by admin on Mar 1, 2016 in |
The compound 3-(1-(benzo[d]thiazol-2-ylimino) ethyl)-6-methyl-2H-pyran-2, 4(3H)-dione (3BTIEMPD) and its metal complexes were prepared and characterized by spectro-analytical techniques. Irving-Rossetti pH-metric technique was employed to determine the number of dissociable protons and chelation sites of the title compound. Hyper Chem 7.5 software was used to understand donor and acceptor properties of molecule. The molecule was built and the geometry optimization was carried out by using semiemperical PM3 method. The contour maps of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) and corresponding binding energy values were computed. The low binding energy for ionic species evident from computed values is an indication of higher possibility of compound to bind with metal ions through deprotonation. This is augmented from the results of spectro-analytical analyses of isolated solid metal complexes wherein the participation of azomethine nitrogen and the enol oxygen of pyran ring through deprotonation is envisaged. All the compounds were investigated for their antimicrobial activities against the Gram-positive and Gram-negative bacteria by disc diffusion method. It was found that the...
Read More
