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Sravani, M.
- Insilico Analysis and Docking of Tacrine and Donepezil Derivatives Targeting Histamine-N-Methyltransferase and Acetyl Cholinesterase Protein Respectively for Alzheimer's Disease
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Authors
Affiliations
1 Dept. of Pharmaceutical Chemistry, JNTU-OTRI, Anantapur. Andhra Pradesh, IN
2 Dept. of Pharmaceutical Analysis, JNTU-OTRI, Anantapur. Andhra Pradesh, IN
3 Dept. of Pharmaceutics, PRRM College of Pharmacy, Andhra Pradesh, IN
4 Dept. of Pharmacology, Royal College of Pharmacy and Health Sciences, Berhampur, Odisha, IN
1 Dept. of Pharmaceutical Chemistry, JNTU-OTRI, Anantapur. Andhra Pradesh, IN
2 Dept. of Pharmaceutical Analysis, JNTU-OTRI, Anantapur. Andhra Pradesh, IN
3 Dept. of Pharmaceutics, PRRM College of Pharmacy, Andhra Pradesh, IN
4 Dept. of Pharmacology, Royal College of Pharmacy and Health Sciences, Berhampur, Odisha, IN
Source
Research Journal of Pharmacy and Technology, Vol 6, No 1 (2013), Pagination: 86-89Abstract
Alzheimer's disease is characterized by loss of neurons and synapses in the cerebral cortex and certain sub cortical regions. The earliest observable symptoms are often mistakenly thought to be 'age-related' concerns, or manifestations of stress. As the disease advances, symptoms include confusion, irritability and aggression, long-term memory loss. Two drugs specifically approved for treating Alzheimer's disease were Tacrine and Donezepil. Tacrine mainly inhibit the histamine-N-methyltransferase protein which block the histamine transmission. Donepezil inhibit the acetyl cholinesterase which degrades the acetylcholine transmitter. In this study, computational methods are used to design novel tacrine and donepezil derivatives and evaluated them for interaction with the Histamine-N-methyltransferase protein and acetyl cholinesterase protein respectively through insilico analysis by using Hyperchem 8.0, Gold 3.01 docking software. The result of the docking studies shows that ligands of T3 and D3 with R - CH2CH3 are having highest binding affinity.Keywords
Alzheimer's Disease, Acetyl Cholinesterase, Histamine-N-Methyltransferase Protein, Molecular Docking, Docking Interactions
References
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- Ghatol SP, Verma S, Agarwal K, Sharon A. Pharmacophore Distance Mapping and Docking Study of Some Benzimidazole Analogs as A2A Receptor Antagonists. International Journal of Pharmaceutical Sciences and Drug Research.2 (1); 2010: 71- 77.
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- Meshram RJ, Jangle SN. Molecular docking and binding energy studies on nuraminidase of h1n1 reveal possible answer to its resistance for oseltamivir. International Journal of Drug Discovery. 1(2); 2009: 34-39.
- M Sravani, N Duganath, Deepak Reddy Gade, Sandeep Reddy CH. Insilico analysis and docking of imatinib derivatives targeting BCR-ABL oncoprotein for chronic myeloid leukemia. Asian J. Research Chem. 5(1); 2012: 153-158
- Insilico Analysis and Docking of Imatinib Derivatives Targeting BCR-ABL Oncoprotein for Chronic Myeloid Leukemia
Abstract Views :169 |
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Authors
Affiliations
1 Dept. of Pharmaceutical Chemistry, Jawaharlal Nehru Technological University - OTRI, Anantapur, AP, IN
2 Dept. of Pharmacology, MLR Institute of Pharmacy, Dundigal, Hyderabad, AP, IN
1 Dept. of Pharmaceutical Chemistry, Jawaharlal Nehru Technological University - OTRI, Anantapur, AP, IN
2 Dept. of Pharmacology, MLR Institute of Pharmacy, Dundigal, Hyderabad, AP, IN
Source
Asian Journal of Research in Chemistry, Vol 5, No 1 (2012), Pagination: 153-158Abstract
The BCR-Abloncoprotein with constitutive tyrosine kinase activity plays a pivotal role in the pathogenesis of chronic myeloid leukemia (CML), therefore being an ideal target for the drug development. Imatinibmesylate, a selective tyrosine kinases inhibitor (TKI), has excellent efficacy in the treatment of chronic myeloid leukemia. It has opened the way to the development of additional TKIs against chronic myeloid leukemia, including nilotinib and dasatinib. In this study, computational methods are used to design novel imatinib derivatives and evaluated them for interaction with the Bcr-Abloncoprotein through insilico analysis by using Hyperchem 8.0, Gold 3.01 docking software. Here, from the results, it is reported that 1, 14, 26, ligands are having dock score near to imatinib and modifications to these ligands may result in better ligands than imatinib. The results of Toxicity studies also supported 1, 14, 26, better drug-likeness properties. Ligand 4 has shown higher affinity and better interaction with Bcr-Abloncoprotein than imatinib and any other newly designed molecules, but it had shown mutagenicity and irritancy.
Keywords
Chronic Myeloid Leukemia, Tyrosine Kinase Inhibitors, BCR-Abloncoprotein, Imatinib, Molecular Docking.- Result of Under Conceptualized Implementation of Activity and Future Improvements
Abstract Views :160 |
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Authors
Affiliations
1 CSE, HITAM, Hyderabad, Telangana, IN
1 CSE, HITAM, Hyderabad, Telangana, IN