Refine your search
Collections
Journals
Year
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z All
Kumar, S. P. N.
- Molecular Interaction Studies of Phosphatidylcholine As Drug Delivery Substrate For Asenapine Maleate
Abstract Views :577 |
PDF Views:219
Authors
A. Harani
1,
J. VijayaRatnam
1,
B. Dipankar
2,
D. Sathis Kumar
3,
M. Bhagya Lalitha
3,
S. P. N. Kumar
3
Affiliations
1 University College of Pharmaceutical Sciences, Andhra University, Visakhapatnam - 530 003, IN
2 Certum Analytics, Certum Ventures Private Limited, Hyderabad - 500 023, IN
3 Aditya Pharmacy College, Surampalem - 533 437, IN
1 University College of Pharmaceutical Sciences, Andhra University, Visakhapatnam - 530 003, IN
2 Certum Analytics, Certum Ventures Private Limited, Hyderabad - 500 023, IN
3 Aditya Pharmacy College, Surampalem - 533 437, IN
Source
Current Science, Vol 115, No 3 (2018), Pagination: 499-504Abstract
Phospholipid complexes have become promising delivery systems for delivery of drugs with poor bioavailability like asenapine maleate. To improve the bioavailability of asenapine maleate, phospholipid complex was chosen for the drug with Phospholipon 90 G (phosphatidylcholine). The automated molecular docking calculation for asenapine and maleate individually with phospholipid was performed by AutoGrid 4.2.6, a docking program. The van der Waals hydrogen bond, electrostatic potential energy and desolvation free energy grid maps were calculated by AutoDock parameter set- and distance-dependent dielectric functions respectively. The change in free energy was specifically seen for the complex between asenapine and phospholipid which exhibited least binding docking energy of –3.86 kcal/mol among the summary of 25 poses. Finally, molecular docking studies confirmed that the asenapine is able to make a complex with phosphatidylcholine, plausibly on account of its structural similarity with phospholipid in its physiochemical properties.Keywords
Asenapine, Binding Docking Energy, Maleate, Phosphatidylcholine.Full Text
References
- Loguercio, C. et al., Silybin combined with phosphatidylcholine and vitamin E in patients with nonalcoholic fatty liver disease: a randomized controlled trial. Free Radic. Biol. Med., 2012, 52, 1658–1665.
- Virtanen, J. A., Cheng, K. H. and Somerharju, P., Phospholipid composition of the mammalian red cell membrane can be rationalized by a superlattice model. Proc. Natl. Acad. Sci. USA, 1998, 95, 4964–4969.
- Singh, A., Saharan, V. A., Singh, M. and Bhandari, A., Phytosome: drug delivery system for poly-phenolic phytoconstituents. Iran. J. Pharm. Sci., 2011, 7, 209–219.
- Semalty, A., Semalty, M., Rawat, M. S. and Franceschi, F., Supramolecular phospholipids–polyphenolics interactions: the PHYTOSOME strategy to improve the bioavailability of phytochemicals. Fitoterapia, 2010, 81, 306–314.
- Yanyu, X., Yunmei, S., Zhipeng, C. and Qineng, P., The preparation of silybin–phospholipid complex and the study on its pharmacokinetics in rats. Int. J. Pharm., 2006, 307, 77–82.
- Alexander, A., Tripathi, D. K., Verma, T., Swarna, Maurya, J. and Patel, S., Mechanism responsible for mucoadhesion of mucoadhesive drug delivery system: a review. Int. J. Appl. Biol. Pharm. Technol., 2011, 2, 434–445.
- Hans, M. L. and Lowman, A. M., Biodegradable nanoparticles for drug delivery and targeting. Curr. Opin. Solid State Mater. Sci., 2002, 6, 319–327.
- Ulbrich, K., Subrt, V., Strohalm, J., Plocova, D., Jelinkova, M. and Rihova, B., Polymeric drugs based on conjugates of synthetic and natural macromolecules. I. Synthesis and physico-chemical characterisation. J. Control. Release, 2001, 64, 63–79.
- Okamoto, T., Nakagawa, S. and Tsutsumi, Y., The optimal molecular design of polymeric drug carriers and its application for renal drug targeting. Gene. Ther. Mol. Biol., 2004, 8, 221–230.
- Sabir, M. I., Xu, X. and Li, L., A review on biodegradable polymeric materials for bone tissue engineering applications. J. Mater. Sci., 2009, 44, 5713–5724.
- Bahadur, R. P., Chakrabarti, P. and Janin, J., Dissecting subunit interfaces in homodimeric proteins. Proteins, 2003, 53, 708–719.
- Reichmann, D., Rahat, O. and Schreiber, G., The molecular architecture of protein-protein binding sites. Curr. Opin. Struct. Biol., 2007, 17, 67–76.
- Jones, S. and Thornton, J. M., Prediction of protein-protein interaction sites using patch analysis. J. Mol. Biol., 1997, 272, 133–143.
- McCoy, A. J., Chandana Epa, V. and Colman, P. M., Electrostatic complementarity at protein/protein interfaces. J. Mol. Biol., 1997, 268, 570–584.
- Xu, D., Lin, S. L. and Nussinov, R., Protein binding versus protein folding: the role of hydrophilic bridges in protein associations. J. Mol. Biol., 1997, 265, 68–84.
- Sharp, K., Jean-Charles, A. and Honig, B., Local dielectric constant model for solvation free energies which accounts for solute polarizability. J. Phys. Chem., 1992, 96, 3822–3828.
- Jackson, J. D., Classical Electrodynamics, John Wiley, New York, 1975.
- Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart, W. E., Belew, R. K. and Olson, A. J., Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function. J. Comput. Chem., 1998, 19, 1639–1662.
- Mehler, E. L. and Solmajer, T., Electrostatic effects in proteins: comparison of dielectric and charge models. Protein Eng., 1991, 4, 903–910.