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Using self-organizing maps to accelerate similarity search.

Bioorganic & medicinal chemistry

Bonachera F, Marcou G, Kireeva N, Varnek A, Horvath D.
PMID: 22595424
Bioorg Med Chem. 2012 Sep 15;20(18):5396-409. doi: 10.1016/j.bmc.2012.04.024. Epub 2012 Apr 21.

While self-organizing maps (SOM) have often been used to map and describe chemical space, this paper focuses on their use to accelerate similarity searches based on vectors of high-dimensional real-value descriptors for which classical, binary fingerprint-based similarity speed-up procedures...

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Bonachera F, Marcou G, Kireeva N, et al. Using self-organizing maps to accelerate similarity search. Bioorg Med Chem. 2012;20(18):5396-409doi: 10.1016/j.bmc.2012.04.024.
Bonachera, F., Marcou, G., Kireeva, N., Varnek, A., & Horvath, D. (2012). Using self-organizing maps to accelerate similarity search. Bioorganic & medicinal chemistry, 20(18), 5396-409. https://doi.org/10.1016/j.bmc.2012.04.024
Bonachera, Fanny, et al. "Using self-organizing maps to accelerate similarity search." Bioorganic & medicinal chemistry vol. 20,18 (2012): 5396-409. doi: https://doi.org/10.1016/j.bmc.2012.04.024
Bonachera F, Marcou G, Kireeva N, Varnek A, Horvath D. Using self-organizing maps to accelerate similarity search. Bioorg Med Chem. 2012 Sep 15;20(18):5396-409. doi: 10.1016/j.bmc.2012.04.024. Epub 2012 Apr 21. PMID: 22595424.
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WITHDRAWN: Two new cytotoxic labdane diterpens from Alpinia zerumbet.

Bioorganic & medicinal chemistry letters

Reddy PP, Rajesh N, Patro VJ.
PMID: 19442521
Bioorg Med Chem Lett. 2009 May 03; doi: 10.1016/j.bmcl.2009.04.115. Epub 2009 May 03.

This article has been withdrawn at the request of the author(s) and/or editor. The Publisher apologizes for any inconvenience this may cause. The full Elsevier Policy on Article Withdrawal can be found at http://www.elsevier.com/locate/withdrawalpolicy.

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Reddy PP, Rajesh N, Patro VJ. WITHDRAWN: Two new cytotoxic labdane diterpens from Alpinia zerumbet. Bioorg Med Chem Lett. 2009;doi: 10.1016/j.bmcl.2009.04.115.
Reddy, P. P., Rajesh, N., & Patro, V. J. (2009). WITHDRAWN: Two new cytotoxic labdane diterpens from Alpinia zerumbet. Bioorganic & medicinal chemistry letters, . https://doi.org/10.1016/j.bmcl.2009.04.115
Reddy, Polepally Prabhakar, et al. "WITHDRAWN: Two new cytotoxic labdane diterpens from Alpinia zerumbet." Bioorganic & medicinal chemistry letters vol. (2009). doi: https://doi.org/10.1016/j.bmcl.2009.04.115
Reddy PP, Rajesh N, Patro VJ. WITHDRAWN: Two new cytotoxic labdane diterpens from Alpinia zerumbet. Bioorg Med Chem Lett. 2009 May 03; doi: 10.1016/j.bmcl.2009.04.115. Epub 2009 May 03. PMID: 19442521.
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Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2.

Bioorganic & medicinal chemistry

Li X, Liang X, Song T, Su P, Zhang Z.
PMID: 25319084
Bioorg Med Chem. 2014 Oct 02; doi: 10.1016/j.bmc.2014.09.047. Epub 2014 Oct 02.

We report herein characteristic studies of Mcl-1 and Bcl-2 dual inhibitors. It was found that a protruding carbonyl group forming hydrogen bond with R263 plays a predominant role compared with the hydrophobic group that occupies the p2 pocket. A...

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Li X, Liang X, Song T, et al. Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2. Bioorg Med Chem. 2014;doi: 10.1016/j.bmc.2014.09.047.
Li, X., Liang, X., Song, T., Su, P., & Zhang, Z. (2014). Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2. Bioorganic & medicinal chemistry, . https://doi.org/10.1016/j.bmc.2014.09.047
Li, Xiangqian, et al. "Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2." Bioorganic & medicinal chemistry vol. (2014). doi: https://doi.org/10.1016/j.bmc.2014.09.047
Li X, Liang X, Song T, Su P, Zhang Z. Design, synthesis and structure-activity relationship studies of morpholino-1H-phenalene derivatives that antagonize Mcl-1/Bcl-2. Bioorg Med Chem. 2014 Oct 02; doi: 10.1016/j.bmc.2014.09.047. Epub 2014 Oct 02. PMID: 25319084.
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Editorial.

Bioorganic & medicinal chemistry

Fuchter MJ.
PMID: 29885748
Bioorg Med Chem. 2018 Jul 15;26(11):2919-2920. doi: 10.1016/j.bmc.2018.05.037.

No abstract available.

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Fuchter MJ. Editorial. Bioorg Med Chem. 2018;26(11):2919-2920doi: 10.1016/j.bmc.2018.05.037.
Fuchter, M. J. (2018). Editorial. Bioorganic & medicinal chemistry, 26(11), 2919-2920. https://doi.org/10.1016/j.bmc.2018.05.037
Fuchter, Matthew J. "Editorial." Bioorganic & medicinal chemistry vol. 26,11 (2018): 2919-2920. doi: https://doi.org/10.1016/j.bmc.2018.05.037
Fuchter MJ. Editorial. Bioorg Med Chem. 2018 Jul 15;26(11):2919-2920. doi: 10.1016/j.bmc.2018.05.037. PMID: 29885748.
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Retraction notice to "Sannastatin, a novel toxic macrolactam polyketide glycoside produced by actinomycete Streptomyces sannanensis" [Bioorg. Med. Chem. Lett. 21 (2011) 3905-3908].

Bioorganic & medicinal chemistry letters

Yang SX, Gao JM, Zhang AL, Laatsch H.
PMID: 28826506
Bioorg Med Chem Lett. 2017 Sep 01;27(17):4219. doi: 10.1016/j.bmcl.2017.07.024.

No abstract available.

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Yang SX, Gao JM, Zhang AL, et al. Retraction notice to "Sannastatin, a novel toxic macrolactam polyketide glycoside produced by actinomycete Streptomyces sannanensis" [Bioorg. Med. Chem. Lett. 21 (2011) 3905-3908]. Bioorg Med Chem Lett. 2017;27(17):4219doi: 10.1016/j.bmcl.2017.07.024.
Yang, S. X., Gao, J. M., Zhang, A. L., & Laatsch, H. (2017). Retraction notice to "Sannastatin, a novel toxic macrolactam polyketide glycoside produced by actinomycete Streptomyces sannanensis" [Bioorg. Med. Chem. Lett. 21 (2011) 3905-3908]. Bioorganic & medicinal chemistry letters, 27(17), 4219. https://doi.org/10.1016/j.bmcl.2017.07.024
Yang, Sheng-Xiang, et al. "Retraction notice to "Sannastatin, a novel toxic macrolactam polyketide glycoside produced by actinomycete Streptomyces sannanensis" [Bioorg. Med. Chem. Lett. 21 (2011) 3905-3908]." Bioorganic & medicinal chemistry letters vol. 27,17 (2017): 4219. doi: https://doi.org/10.1016/j.bmcl.2017.07.024
Yang SX, Gao JM, Zhang AL, Laatsch H. Retraction notice to "Sannastatin, a novel toxic macrolactam polyketide glycoside produced by actinomycete Streptomyces sannanensis" [Bioorg. Med. Chem. Lett. 21 (2011) 3905-3908]. Bioorg Med Chem Lett. 2017 Sep 01;27(17):4219. doi: 10.1016/j.bmcl.2017.07.024. PMID: 28826506.
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Corrigendum to "A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives" [Bioorg. Med. Chem. Lett. 28 (14) (2018) 2481-2484].

Bioorganic & medicinal chemistry letters

Derabli C, Boualia I, Abdelwahab AB, Boulcina R, Bensouici C, Kirsch G, Debache A.
PMID: 30119958
Bioorg Med Chem Lett. 2018 Oct 01;28(18):3129. doi: 10.1016/j.bmcl.2018.08.008. Epub 2018 Aug 14.

No abstract available.

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Derabli C, Boualia I, Abdelwahab AB, et al. Corrigendum to "A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives" [Bioorg. Med. Chem. Lett. 28 (14) (2018) 2481-2484]. Bioorg Med Chem Lett. 2018;28(18):3129doi: 10.1016/j.bmcl.2018.08.008.
Derabli, C., Boualia, I., Abdelwahab, A. B., Boulcina, R., Bensouici, C., Kirsch, G., & Debache, A. (2018). Corrigendum to "A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives" [Bioorg. Med. Chem. Lett. 28 (14) (2018) 2481-2484]. Bioorganic & medicinal chemistry letters, 28(18), 3129. https://doi.org/10.1016/j.bmcl.2018.08.008
Derabli, Chamseddine, et al. "Corrigendum to "A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives" [Bioorg. Med. Chem. Lett. 28 (14) (2018) 2481-2484]." Bioorganic & medicinal chemistry letters vol. 28,18 (2018): 3129. doi: https://doi.org/10.1016/j.bmcl.2018.08.008
Derabli C, Boualia I, Abdelwahab AB, Boulcina R, Bensouici C, Kirsch G, Debache A. Corrigendum to "A cascade synthesis, in vitro cholinesterases inhibitory activity and docking studies of novel Tacrine-pyranopyrazole derivatives" [Bioorg. Med. Chem. Lett. 28 (14) (2018) 2481-2484]. Bioorg Med Chem Lett. 2018 Oct 01;28(18):3129. doi: 10.1016/j.bmcl.2018.08.008. Epub 2018 Aug 14. PMID: 30119958.
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Corrigendum to "Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA.

Bioorganic & medicinal chemistry letters

Rycek L, Puthenkalam R, Schnürch M, Ernst M, Mihovilovic MD.
PMID: 28718421
Bioorg Med Chem Lett. 2015 Apr 15;25(8):1811. doi: 10.1016/j.bmcl.2015.02.001. Epub 2015 Feb 20.

No abstract available.

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Rycek L, Puthenkalam R, Schnürch M, et al. Corrigendum to "Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA. Bioorg Med Chem Lett. 2015;25(8):1811doi: 10.1016/j.bmcl.2015.02.001.
Rycek, L., Puthenkalam, R., Schnürch, M., Ernst, M., & Mihovilovic, M. D. (2015). Corrigendum to "Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA. Bioorganic & medicinal chemistry letters, 25(8), 1811. https://doi.org/10.1016/j.bmcl.2015.02.001
Rycek, Lukas, et al. "Corrigendum to "Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA." Bioorganic & medicinal chemistry letters vol. 25,8 (2015): 1811. doi: https://doi.org/10.1016/j.bmcl.2015.02.001
Rycek L, Puthenkalam R, Schnürch M, Ernst M, Mihovilovic MD. Corrigendum to "Metal-assisted synthesis of unsymmetrical magnolol and honokiol analogs and their biological assessment as GABA. Bioorg Med Chem Lett. 2015 Apr 15;25(8):1811. doi: 10.1016/j.bmcl.2015.02.001. Epub 2015 Feb 20. PMID: 28718421; PMCID: PMC5509540.
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Erratum to "Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase" [Bioorg. Med. Chem. 24 (2016) 4281-4290].

Bioorganic & medicinal chemistry

Zhao F, Zhang J, Zhang L, Hao Y, Shi C, Xia G, Yu J, Liu Y.
PMID: 28389111
Bioorg Med Chem. 2017 May 15;25(10):2811-2812. doi: 10.1016/j.bmc.2017.03.042. Epub 2017 Apr 05.

No abstract available.

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Zhao F, Zhang J, Zhang L, et al. Erratum to "Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase" [Bioorg. Med. Chem. 24 (2016) 4281-4290]. Bioorg Med Chem. 2017;25(10):2811-2812doi: 10.1016/j.bmc.2017.03.042.
Zhao, F., Zhang, J., Zhang, L., Hao, Y., Shi, C., Xia, G., Yu, J., & Liu, Y. (2017). Erratum to "Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase" [Bioorg. Med. Chem. 24 (2016) 4281-4290]. Bioorganic & medicinal chemistry, 25(10), 2811-2812. https://doi.org/10.1016/j.bmc.2017.03.042
Zhao, Fei, et al. "Erratum to "Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase" [Bioorg. Med. Chem. 24 (2016) 4281-4290]." Bioorganic & medicinal chemistry vol. 25,10 (2017): 2811-2812. doi: https://doi.org/10.1016/j.bmc.2017.03.042
Zhao F, Zhang J, Zhang L, Hao Y, Shi C, Xia G, Yu J, Liu Y. Erratum to "Discovery and optimization of a series of imidazo[4,5-b]pyrazine derivatives as highly potent and exquisitely selective inhibitors of the mesenchymal-epithelial transition factor (c-Met) protein kinase" [Bioorg. Med. Chem. 24 (2016) 4281-4290]. Bioorg Med Chem. 2017 May 15;25(10):2811-2812. doi: 10.1016/j.bmc.2017.03.042. Epub 2017 Apr 05. PMID: 28389111.
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Corrigendum to "A study of 2-component i, i + 3 peptide stapling using thioethers" [Bioorg. Med. Chem. 26(6) (2018) 1203-1205].

Bioorganic & medicinal chemistry

St Louis LE, Rodriguez TM, Waters ML.
PMID: 29886085
Bioorg Med Chem. 2018 Jul 23;26(12):3727. doi: 10.1016/j.bmc.2018.05.038. Epub 2018 Jun 06.

No abstract available.

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St Louis LE, Rodriguez TM, Waters ML. Corrigendum to "A study of 2-component i, i + 3 peptide stapling using thioethers" [Bioorg. Med. Chem. 26(6) (2018) 1203-1205]. Bioorg Med Chem. 2018;26(12):3727doi: 10.1016/j.bmc.2018.05.038.
St Louis, L. E., Rodriguez, T. M., & Waters, M. L. (2018). Corrigendum to "A study of 2-component i, i + 3 peptide stapling using thioethers" [Bioorg. Med. Chem. 26(6) (2018) 1203-1205]. Bioorganic & medicinal chemistry, 26(12), 3727. https://doi.org/10.1016/j.bmc.2018.05.038
St Louis, Lauren E, et al. "Corrigendum to "A study of 2-component i, i + 3 peptide stapling using thioethers" [Bioorg. Med. Chem. 26(6) (2018) 1203-1205]." Bioorganic & medicinal chemistry vol. 26,12 (2018): 3727. doi: https://doi.org/10.1016/j.bmc.2018.05.038
St Louis LE, Rodriguez TM, Waters ML. Corrigendum to "A study of 2-component i, i + 3 peptide stapling using thioethers" [Bioorg. Med. Chem. 26(6) (2018) 1203-1205]. Bioorg Med Chem. 2018 Jul 23;26(12):3727. doi: 10.1016/j.bmc.2018.05.038. Epub 2018 Jun 06. PMID: 29886085.
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Corrigendum to "Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease" [Bioorg. Med. Chem. 23 (2015) 1102-1111].

Bioorganic & medicinal chemistry

Dixon M, Woodrick J, Gupta S, Karmahapatra SK, Devito S, Vasudevan S, Dakshanamurthy S, Adhikari S, Yenugonda VM, Roy R.
PMID: 32689709
Bioorg Med Chem. 2015 Aug 01;23(15):5077. doi: 10.1016/j.bmc.2015.06.031. Epub 2015 Jun 19.

No abstract available.

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Dixon M, Woodrick J, Gupta S, et al. Corrigendum to "Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease" [Bioorg. Med. Chem. 23 (2015) 1102-1111]. Bioorg Med Chem. 2015;23(15):5077doi: 10.1016/j.bmc.2015.06.031.
Dixon, M., Woodrick, J., Gupta, S., Karmahapatra, S. K., Devito, S., Vasudevan, S., Dakshanamurthy, S., Adhikari, S., Yenugonda, V. M., & Roy, R. (2015). Corrigendum to "Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease" [Bioorg. Med. Chem. 23 (2015) 1102-1111]. Bioorganic & medicinal chemistry, 23(15), 5077. https://doi.org/10.1016/j.bmc.2015.06.031
Dixon, Monica, et al. "Corrigendum to "Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease" [Bioorg. Med. Chem. 23 (2015) 1102-1111]." Bioorganic & medicinal chemistry vol. 23,15 (2015): 5077. doi: https://doi.org/10.1016/j.bmc.2015.06.031
Dixon M, Woodrick J, Gupta S, Karmahapatra SK, Devito S, Vasudevan S, Dakshanamurthy S, Adhikari S, Yenugonda VM, Roy R. Corrigendum to "Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease" [Bioorg. Med. Chem. 23 (2015) 1102-1111]. Bioorg Med Chem. 2015 Aug 01;23(15):5077. doi: 10.1016/j.bmc.2015.06.031. Epub 2015 Jun 19. PMID: 32689709.
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Classifying shape coverage in fragment libraries using a fingerprinting approach.

Bioorganic & medicinal chemistry letters

Richardson CM, Lipkin MJ, Sheppard DW.
PMID: 25890803
Bioorg Med Chem Lett. 2015;25(10):2089-95. doi: 10.1016/j.bmcl.2015.03.082. Epub 2015 Apr 03.

Fragment screening is one approach to hit identification for early stage drug discovery projects. Like any screening library, diversity is needed in fragment libraries. This includes coverage of shape and electrostatic space, as well as chemotype diversity. A new,...

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Richardson CM, Lipkin MJ, Sheppard DW. Classifying shape coverage in fragment libraries using a fingerprinting approach. Bioorg Med Chem Lett. 2015;25(10):2089-95doi: 10.1016/j.bmcl.2015.03.082.
Richardson, C. M., Lipkin, M. J., & Sheppard, D. W. (2015). Classifying shape coverage in fragment libraries using a fingerprinting approach. Bioorganic & medicinal chemistry letters, 25(10), 2089-95. https://doi.org/10.1016/j.bmcl.2015.03.082
Richardson, Christine M, et al. "Classifying shape coverage in fragment libraries using a fingerprinting approach." Bioorganic & medicinal chemistry letters vol. 25,10 (2015): 2089-95. doi: https://doi.org/10.1016/j.bmcl.2015.03.082
Richardson CM, Lipkin MJ, Sheppard DW. Classifying shape coverage in fragment libraries using a fingerprinting approach. Bioorg Med Chem Lett. 2015;25(10):2089-95. doi: 10.1016/j.bmcl.2015.03.082. Epub 2015 Apr 03. PMID: 25890803.
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Corrigendum to "Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids" [Bioorg Med Chem Lett (2017) 4358-4369].

Bioorganic & medicinal chemistry letters

Abdelall EKA, Abdelhamid AO, Azouz AA.
PMID: 29395977
Bioorg Med Chem Lett. 2018 Feb 15;28(4):839. doi: 10.1016/j.bmcl.2018.01.024. Epub 2018 Jan 31.

No abstract available.

Cite
Abdelall EKA, Abdelhamid AO, Azouz AA. Corrigendum to "Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids" [Bioorg Med Chem Lett (2017) 4358-4369]. Bioorg Med Chem Lett. 2018;28(4):839doi: 10.1016/j.bmcl.2018.01.024.
Abdelall, E. K. A., Abdelhamid, A. O., & Azouz, A. A. (2018). Corrigendum to "Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids" [Bioorg Med Chem Lett (2017) 4358-4369]. Bioorganic & medicinal chemistry letters, 28(4), 839. https://doi.org/10.1016/j.bmcl.2018.01.024
Abdelall, Eman K A, et al. "Corrigendum to "Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids" [Bioorg Med Chem Lett (2017) 4358-4369]." Bioorganic & medicinal chemistry letters vol. 28,4 (2018): 839. doi: https://doi.org/10.1016/j.bmcl.2018.01.024
Abdelall EKA, Abdelhamid AO, Azouz AA. Corrigendum to "Synthesis and biological evaluations of new nitric oxide-anti-inflammatory drug hybrids" [Bioorg Med Chem Lett (2017) 4358-4369]. Bioorg Med Chem Lett. 2018 Feb 15;28(4):839. doi: 10.1016/j.bmcl.2018.01.024. Epub 2018 Jan 31. PMID: 29395977.
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Showing 13 to 24 of 1099 entries