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Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives.
Bioorg Med Chem. 2013 Jun 01; 21(11):3022-31.BM

Abstract

A series of hitherto unreported pyrido-pyrimidine-2-ones/pyrimidine-2-thiones were synthesized under microwave assisted solvent free reaction conditions in excellent yields and evaluated in vitro for their acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes inhibitory activity. Among the pyridopyrimidine derivatives, 7e and 7l displayed 2.5- and 1.5-fold higher enzyme inhibitory activities against AChE as compared to standard drug, galanthamine, with IC50 of 0.80 and 1.37 μM, respectively. Interestingly, all the compounds except 6k, 7j and 7k displayed higher inhibitory potential against BChE enzyme in comparison to standard with IC50 ranging from 1.18 to 18.90 μM. Molecular modeling simulations of 7e and 7l was performed using three-dimensional structure of Torpedo californica AChE (TcAChE) and human butyrylcholinesterase (hBChE) enzymes to disclose binding interaction and orientation of these molecule into the active site gorge of respective receptors.

Authors+Show Affiliations

School of Pharmaceutical Sciences, Universiti Sains Malaysia, Minden 11800, Penang, Malaysia.No affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

23602518

Citation

Basiri, Alireza, et al. "Microwave Assisted Synthesis, Cholinesterase Enzymes Inhibitory Activities and Molecular Docking Studies of New Pyridopyrimidine Derivatives." Bioorganic & Medicinal Chemistry, vol. 21, no. 11, 2013, pp. 3022-31.
Basiri A, Murugaiyah V, Osman H, et al. Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives. Bioorg Med Chem. 2013;21(11):3022-31.
Basiri, A., Murugaiyah, V., Osman, H., Kumar, R. S., Kia, Y., & Ali, M. A. (2013). Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives. Bioorganic & Medicinal Chemistry, 21(11), 3022-31. https://doi.org/10.1016/j.bmc.2013.03.058
Basiri A, et al. Microwave Assisted Synthesis, Cholinesterase Enzymes Inhibitory Activities and Molecular Docking Studies of New Pyridopyrimidine Derivatives. Bioorg Med Chem. 2013 Jun 1;21(11):3022-31. PubMed PMID: 23602518.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives. AU - Basiri,Alireza, AU - Murugaiyah,Vikneswaran, AU - Osman,Hasnah, AU - Kumar,Raju Suresh, AU - Kia,Yalda, AU - Ali,Mohamed Ashraf, Y1 - 2013/04/01/ PY - 2013/02/20/received PY - 2013/03/19/revised PY - 2013/03/21/accepted PY - 2013/4/23/entrez PY - 2013/4/23/pubmed PY - 2013/12/16/medline SP - 3022 EP - 31 JF - Bioorganic & medicinal chemistry JO - Bioorg Med Chem VL - 21 IS - 11 N2 - A series of hitherto unreported pyrido-pyrimidine-2-ones/pyrimidine-2-thiones were synthesized under microwave assisted solvent free reaction conditions in excellent yields and evaluated in vitro for their acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes inhibitory activity. Among the pyridopyrimidine derivatives, 7e and 7l displayed 2.5- and 1.5-fold higher enzyme inhibitory activities against AChE as compared to standard drug, galanthamine, with IC50 of 0.80 and 1.37 μM, respectively. Interestingly, all the compounds except 6k, 7j and 7k displayed higher inhibitory potential against BChE enzyme in comparison to standard with IC50 ranging from 1.18 to 18.90 μM. Molecular modeling simulations of 7e and 7l was performed using three-dimensional structure of Torpedo californica AChE (TcAChE) and human butyrylcholinesterase (hBChE) enzymes to disclose binding interaction and orientation of these molecule into the active site gorge of respective receptors. SN - 1464-3391 UR - https://www.unboundmedicine.com/medline/citation/23602518/Microwave_assisted_synthesis_cholinesterase_enzymes_inhibitory_activities_and_molecular_docking_studies_of_new_pyridopyrimidine_derivatives_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0968-0896(13)00280-0 DB - PRIME DP - Unbound Medicine ER -