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Page 1
Recent Progress in the Development of HIV-1 Entry Inhibitors: From Small Molecules to Potent Anti-HIV Agents.
Suttisintong K, Kaewchangwat N, Thanayupong E, Nerungsi C, Srikun O, Pungpo P. Suttisintong K, et al. Among authors: pungpo p. Curr Top Med Chem. 2019;19(18):1599-1620. doi: 10.2174/1568026619666190712204050. Curr Top Med Chem. 2019. PMID: 31424370 Review.
Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH Inhibition.
Punkvang A, Kamsri P, Mulholland A, Spencer J, Hannongbua S, Pungpo P. Punkvang A, et al. Among authors: pungpo p. J Chem Inf Model. 2019 Apr 22;59(4):1422-1433. doi: 10.1021/acs.jcim.8b00834. Epub 2019 Mar 14. J Chem Inf Model. 2019. PMID: 30840825
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
Kamsri P, Hanwarinroj C, Phusi N, Pornprom T, Chayajarus K, Punkvang A, Suttipanta N, Srimanote P, Suttisintong K, Songsiriritthigul C, Saparpakorn P, Hannongbua S, Rattanabunyong S, Seetaha S, Choowongkomon K, Sureram S, Kittakoop P, Hongmanee P, Santanirand P, Chen Z, Zhu W, Blood RA, Takebayashi Y, Hinchliffe P, Mulholland AJ, Spencer J, Pungpo P. Kamsri P, et al. Among authors: pungpo p. J Chem Inf Model. 2020 Jan 27;60(1):226-234. doi: 10.1021/acs.jcim.9b00918. Epub 2019 Dec 27. J Chem Inf Model. 2020. PMID: 31820972
Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations.
Phusi N, Sato R, Ezawa T, Tomioka S, Hanwarinroj C, Khamsri B, Kamsri P, Punkvang A, Pungpo P, Kurita N. Phusi N, et al. Among authors: pungpo p. J Mol Graph Model. 2019 May;88:299-308. doi: 10.1016/j.jmgm.2019.02.011. Epub 2019 Feb 25. J Mol Graph Model. 2019. PMID: 30826710
Dipyridodiazepinone derivatives; synthesis and anti HIV-1 activity.
Khunnawutmanotham N, Chimnoi N, Thitithanyanont A, Saparpakorn P, Choowongkomon K, Pungpo P, Hannongbua S, Techasakul S. Khunnawutmanotham N, et al. Among authors: pungpo p. Beilstein J Org Chem. 2009 Jul 22;5:36. doi: 10.3762/bjoc.5.36. Beilstein J Org Chem. 2009. PMID: 19777131 Free PMC article.
Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation.
Punkvang A, Kamsri P, Saparpakorn P, Hannongbua S, Wolschann P, Irle S, Pungpo P. Punkvang A, et al. Among authors: pungpo p. Chem Biol Drug Des. 2015 Jul;86(1):91-101. doi: 10.1111/cbdd.12465. Epub 2014 Nov 24. Chem Biol Drug Des. 2015. PMID: 25354564
Insight into the structural requirements of aminopyrimidine derivatives for good potency against both purified enzyme and whole cells of M. tuberculosis: combination of HQSAR, CoMSIA, and MD simulation studies.
Punkvang A, Hannongbua S, Saparpakorn P, Pungpo P. Punkvang A, et al. Among authors: pungpo p. J Biomol Struct Dyn. 2016 May;34(5):1079-91. doi: 10.1080/07391102.2015.1068711. Epub 2015 Jul 28. J Biomol Struct Dyn. 2016. PMID: 26156406
Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study.
Kamsri P, Punkvang A, Saparpakorn P, Hannongbua S, Irle S, Pungpo P. Kamsri P, et al. Among authors: pungpo p. J Mol Model. 2014 Jul;20(7):2319. doi: 10.1007/s00894-014-2319-0. Epub 2014 Jun 17. J Mol Model. 2014. PMID: 24935113
Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approaches.
Punkvang A, Saparpakorn P, Hannongbua S, Wolschann P, Pungpo P. Punkvang A, et al. Among authors: pungpo p. Molecules. 2010 Apr 16;15(4):2791-813. doi: 10.3390/molecules15042791. Molecules. 2010. PMID: 20428080 Free PMC article.
Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations.
Punkvang A, Saparpakorn P, Hannongbua S, Wolschann P, Beyer A, Pungpo P. Punkvang A, et al. Among authors: pungpo p. Eur J Med Chem. 2010 Dec;45(12):5585-93. doi: 10.1016/j.ejmech.2010.09.008. Epub 2010 Sep 17. Eur J Med Chem. 2010. PMID: 20888672
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