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RSC Advances
DOI: 10.1039/C6RA02458K
COMMUNICATION
Journal Name
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Fig. 3 2D model for binding mode of a) 3d and b) nevirapine into the binding site of
reverse transcriptase enzyme; 3D model for binding mode of c) 3d and d) nevirapine
into the binding site of reverse transcriptase enzyme.
For compound 3d, the amino acids Pro95, Leu100, Lys101,
Lys103, Val106, Val179, Tyr181, Tyr188, Phe227, Leu234,
Pro236 and Tyr318 are showing hydrophobic interactions (Fig.
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model that compound 3d interacts with the same binding 13 S. -R. Sheng, Q. -Y. Wang, Y. Ding, X. -L. Liu, M. -Z. Cai, Catal
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also binds. The docking analysis showed that the orientations
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good agreement with the observed anti HIV-1 activity of 3d
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Conclusions
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,
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In summary, we have prepared GO-CuBr nanocomposite, and
demonstrated it as a highly efficient catalyst for the synthesis
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of BIMs. The catalyst is required in very low amount, gives high 19 J. Luo, N. Zhang, R. Liu and X. Liu, RSC Adv., 2014,
4824.
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yield of products, and is recyclable. Furthermore, compound
has been established as a potent anti HIV-1 drug via TZM-bl
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4,
3d
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cells based assay and molecular modelling analysis.
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This work has been financially supported by the
Department of Science and Technology, India (SR/FT/CS-
H. Ahn and S. Lee, Carbon, 2010, 48, 2282–2289.
2 M.-Z. Zhang, Q. Chen and G.-Fu Yang, Eur. J. Med. Chem.,
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08/2011),
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BT/PR5691/MED/108/11/2012), and Indian Council of 23 T. Mossman, J. Immun. Methods, 1983, 65, 55-63.
Medical Research (5/7/853/12-RCH). A.S. thanks Council of 24 Nutan, M. Modi, C. S. Dezutti, S. Kulshreshtha, A. K. S.
(
Scientific and Industrial Research, India for graduate
fellowship. The authors thank DST-FIST for funding the ESI-
HRMS facility at IIT Delhi.
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,
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Notes and references
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| J. Name., 2012, 00, 1-3
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