Author(s): S. Ramachandran, N. Vimeshya, K. Yogeshwaran, Binoy Varghese Cheriyan, M. Vijey Aanandhi

Email(s): ramachandrans.sps@velsuniv.ac.in

DOI: 10.5958/0974-360X.2021.00277.8   

Address: S. Ramachandran*, N. Vimeshya, K. Yogeshwaran, Binoy Varghese Cheriyan, M. Vijey Aanandhi
Department of Pharmaceutical Chemistry and Analysis, Vels Institute of Science Technology and Advanced Studies, Pallavaram, Chennai - 600117, India.
*Corresponding Author

Published In:   Volume - 14,      Issue - 3,     Year - 2021


ABSTRACT:
Azetidinone derivatives were reported to possess antibacterial, antifungal, antitumor, antitubercular activity, anti-HIV, analgesic, anti-inflammatory, and ulcerogenic activity. Molecular docking has become an important process in the course of drug discovery and docking aims to predict the binding mode and binding affinity of the protein-ligand complex. AutoDock is a popular non-commercial docking program that docks a ligand to its target protein and performs well (accurate and computationally fast). The Discovery Studio Visualizer is a free viewer that can be used to open data generated by other software in the Discovery Studio product line. A new series of Aztifdine-2-one derivative were synthesized by the reaction of Schiff base((Z)-N_(4-dimethylamino) benzylidene) pyrimidine-2-amine) with chloroacetyl chloride respectively. The chemical structures of the synthesized compounds were confirmed using IR, 1H-NMR. The synthesized compounds showed mild antibacterial activity against Staphylococcus aureus and Escherichia coli. The 5NI9 protein that was extracted from the protein database website all the compounds were drawn using the Chem draw Ultra 8.0 and Biovia draw 2018. It was saved in Mol format and then converted to PDB format using the Smiles Online Translator. All the files were logged in the Cygwin toolings. The conformation by ranking was calculated. This shows whether the compound has good binding energy with the ligand and hydrogen bonding and hydrophobic binding with the receptor. From the above analysis, it showed that compound 1 showed hydrogen bonding interactions when compared to that Standard compounds Rifampicin and isoniazid which had lesser hydrogen bonding interactions. The compound 2 did not show any hydrogen bonding. This shows that the Azetidine-2-ones shows antitubercular activity with the Enoyl-acyl carrier protein (enoyl-ACP) reductase enzyme.


Cite this article:
S. Ramachandran, N. Vimeshya, K. Yogeshwaran, Binoy Varghese Cheriyan, M. Vijey Aanandhi. Molecular Docking Studies, Synthesis, Characterisation, and Evaluation of Azetidine-2-One Derivative. Research J. Pharm. and Tech 2021; 14(3):1571-1575. doi: 10.5958/0974-360X.2021.00277.8

Cite(Electronic):
S. Ramachandran, N. Vimeshya, K. Yogeshwaran, Binoy Varghese Cheriyan, M. Vijey Aanandhi. Molecular Docking Studies, Synthesis, Characterisation, and Evaluation of Azetidine-2-One Derivative. Research J. Pharm. and Tech 2021; 14(3):1571-1575. doi: 10.5958/0974-360X.2021.00277.8   Available on: https://rjptonline.org/AbstractView.aspx?PID=2021-14-3-67


REFERENCE:
1.    G.S. Singh, B.J. Molotsi; Synthesis of 2-azetidinones from 2-diazo-1, 2-diarylethanones and N-(2-thienylidene) imines as possible antimicrobial agents Il Farmaco., 2005; 60: 727-730.
2.    V.P.M. Rahman, S. Mukhtar, W.H. Ansari, G. Lemiere; Synthesis, stereochemistry and biological activity of some novel long alkyl chain substituted thiazolidin-4-ones and thiazan-4-one from 10-undecenoic acid hydrazide Eur. J. Med. Chem. 2005; 40: 173-184.
3.    D.S. Mehta and V.H. Shah, Synthesis and biological activity of 2-azetidinones, 4- thiazolidinones, 5-imidazolinones having benzthiazole moiety. Ind. J. Hetero. Chem. 2001: 11; 139-144.
4.    Shrinivas D. Joshi, Uttam A More, Deepak Parkale, TejrajM. Aminabhavi, Design, synthesis of quinolinyl Schiff bases and azetidinones as enoyl ACP-reductase inhibitors, Medicinal Chemistry Research. 2015; 24(11): 1-20. 
5.    S. Ramachandran, M. Vijey Aanandhi , M. Tamilselvam, V. Sursha, K. T. Vigneshwara, Synthesis, Characterization, Antimicrobial Evaluation of 2-Amino pyrimidine Schiff base derivative, Research J. Pharm. and Tech. (online) 12(4): April 2019, 1907-1909.
6.    Ramachandran, P.Shanmugapandiyan, C.N.Nalini, Synthesis and Antimicrobial evaluation of N-(2-(4-substituted phenyl)-4-oxothiazolidin-3-yl) isonicotinamide derivatives in International Journal of Pharmaceutical Sciences and Research, 2011; 2(06); 1564-1568.
7.    S. Ramachandran, S. Nandini, M. Noorul Hudha, Omer Abdul Gader, Otieno Winston Churchill, M.Rajasheik Nasrudeen Shah, Dr.R.Sundhararajan Synthesis, Characterization, Antimicrobial evaluation of Azetidinone derivative in World Journal of Pharmacy and Pharmaceutical Sciences,2014, 3(6), 1466-1470
8.    S.V. More, D.V. Dongarkhadekar, R.N.Chavan, W.N. Jadhav, S.R. Bhusare, R.P. Pawar; Synthesis and antibacterial activity of new Schiff bases, 4-thiazolidinones and 2- azetidinones, J.Indian.Chem.Soc., 2002; 79: 768-769.
9.    Indian Pharmacopoeia 2007, Government of India. Ministry of Health and Family Welfare, Volume 1, Pg 50

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DOI: 10.5958/0974-360X 

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