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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1992 1
1994 1
1996 2
1998 1
2001 3
2002 1
2003 2
2004 2
2005 8
2006 2
2007 4
2008 3
2009 6
2010 4
2011 6
2012 12
2013 20
2014 26
2015 16
2016 22
2017 23
2018 23
2019 34
2020 22
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223 results
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Page 1
Flavonoids: an overview.
Panche AN, Diwan AD, Chandra SR. Panche AN, et al. J Nutr Sci. 2016 Dec 29;5:e47. doi: 10.1017/jns.2016.41. eCollection 2016. J Nutr Sci. 2016. PMID: 28620474 Free PMC article. Review.
Molecular docking and knowledge of bioinformatics are also being used to predict potential applications and manufacturing by industry. ...
Molecular docking and knowledge of bioinformatics are also being used to predict potential applications and manufacturing by industry …
Ultra-large library docking for discovering new chemotypes.
Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O'Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Lyu J, et al. Nature. 2019 Feb;566(7743):224-229. doi: 10.1038/s41586-019-0917-9. Epub 2019 Feb 6. Nature. 2019. PMID: 30728502 Free PMC article.
For each compound in the library, docking against AmpC β-lactamase (AmpC) and the D(4) dopamine receptor were simulated. From the top-ranking molecules, 44 and 549 compounds were synthesized and tested for interactions with AmpC and the D(4) dopamine receptor, respe …
For each compound in the library, docking against AmpC β-lactamase (AmpC) and the D(4) dopamine receptor were simulated. From …
Molecular recognition and binding of beta-lactamase II from Bacillus cereus with penicillin V and sulbactam by spectroscopic analysis in combination with docking simulation.
Zhang Y, Qiao P, Li S, Feng X, Bian L. Zhang Y, et al. Luminescence. 2017 Sep;32(6):932-941. doi: 10.1002/bio.3274. Epub 2017 Feb 10. Luminescence. 2017. PMID: 28185399
The molecular recognition and binding interaction of beta-lactamase II from Bacillus cereus (Bc II) with penicillin V (PV) and sulbactam (Sul) at 277 K were studied by spectroscopic analysis and molecular docking. ...Molecular docking showed that in th …
The molecular recognition and binding interaction of beta-lactamase II from Bacillus cereus (Bc II) with penicillin V (PV) and …
Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitors.
Gangadharappa BS, Sharath R, Revanasiddappa PD, Chandramohan V, Balasubramaniam M, Vardhineni TP. Gangadharappa BS, et al. J Biomol Struct Dyn. 2019 Sep 23:1-15. doi: 10.1080/07391102.2019.1667265. Online ahead of print. J Biomol Struct Dyn. 2019. PMID: 31514687
Metallo-beta-lactamase (MBL) is a class of enzyme that catalyzes the hydrolysis of a broad range of beta-lactam antibiotics leading to the development of drug resistance in bacteria. ...Abbreviations ADME Absorption, Distribution, Metabolism and Excretion BBB …
Metallo-beta-lactamase (MBL) is a class of enzyme that catalyzes the hydrolysis of a broad range of beta-lactam antibio …
Spectroscopic analysis and docking simulation on the recognition and binding of TEM-1 β-lactamase with β-lactam antibiotics.
Yang J, Li Q, Bian L. Yang J, et al. Exp Ther Med. 2017 Oct;14(4):3288-3298. doi: 10.3892/etm.2017.4853. Epub 2017 Jul 31. Exp Ther Med. 2017. PMID: 28912880 Free PMC article.
The interaction between TEM-1 β-lactamase and antibiotics is very important in the hydrolysis of antibiotics. In the present study, the recognition and binding of TEM-1 β-lactamase with three β-lactam antibiotics, including penicillin G, cefalexin and cefoxitin, was …
The interaction between TEM-1 β-lactamase and antibiotics is very important in the hydrolysis of antibiotics. In the present study, t …
Molecular docking and dynamics of Nickel-Schiff base complexes for inhibiting β-lactamase of Mycobacterium tuberculosis.
Junaid M, Alam MJ, Hossain MK, Halim MA, Ullah MO. Junaid M, et al. In Silico Pharmacol. 2018 Mar 28;6(1):6. doi: 10.1007/s40203-018-0044-6. eCollection 2018. In Silico Pharmacol. 2018. PMID: 30607319 Free PMC article.
In this context, searching new anti-tuberculosis agents particularly targeting the β-lactamase (BlaC) is reported to be promising as this enzyme is one of the key player in the development of multidrug resistance. ...Molecular interactions between designed ligands and BlaC …
In this context, searching new anti-tuberculosis agents particularly targeting the β-lactamase (BlaC) is reported to be promising as …
Covalent docking of selected boron-based serine beta-lactamase inhibitors.
Sgrignani J, Novati B, Colombo G, Grazioso G. Sgrignani J, et al. J Comput Aided Mol Des. 2015 May;29(5):441-50. doi: 10.1007/s10822-015-9834-7. Epub 2015 Feb 13. J Comput Aided Mol Des. 2015. PMID: 25676821
Here, we focus on boronic acids, a promising class of beta-lactamase covalent inhibitors. First, we optimized a docking protocol able to reproduce the experimentally determined binding mode of AmpC inhibitors bearing a boronic group. ...On this basis, we form …
Here, we focus on boronic acids, a promising class of beta-lactamase covalent inhibitors. First, we optimized a docking
Molecular modeling and docking analysis of beta-lactamases with inhibitors: a comparative study.
Danishuddin M, Khan AU. Danishuddin M, et al. In Silico Biol. 2011-2012;11(5-6):273-80. doi: 10.3233/ISB-2012-0443. In Silico Biol. 2011. PMID: 23202428
Beta-lactamases are bacterial enzymes which impart resistance against β-lactam-antibiotics. CTX-Ms are the β-lactamases that target cephalosporin antibiotics (e.g. cefotaxime and ceftazidime) while SME-1, KPC-2, IMI-1 and SFC-1 target carbapenems. ...On the basis of the
Beta-lactamases are bacterial enzymes which impart resistance against β-lactam-antibiotics. CTX-Ms are the β-lactamases that target c
Investigation for antimicrobial resistance-modulating activity of diethyl malate and 1-methyl malate against beta-lactamase class A from Bacillus licheniformis by molecular dynamics, in vitro and in vivo studies.
Mirzaie S, Najafi K, Hakhamaneshi MS, Shahverdi AR, Fathi F. Mirzaie S, et al. J Biomol Struct Dyn. 2015;33(5):1016-26. doi: 10.1080/07391102.2014.924877. Epub 2014 Jun 19. J Biomol Struct Dyn. 2015. PMID: 24836845
One of the main mechanisms of antibiotic resistance is beta-lactamase secretion. This enzyme hydrolyzes the amide bond of a lactam ring in beta-lactam antibiotics. ...Data derived from in vitro studies revealed that decrease in MIC values is correlated with …
One of the main mechanisms of antibiotic resistance is beta-lactamase secretion. This enzyme hydrolyzes the amide bond of a la …
Genetic, Biochemical, and Structural Characterization of CMY-136 β-Lactamase, a Peculiar CMY-2 Variant.
Zavala A, Retailleau P, Elisée E, Iorga BI, Naas T. Zavala A, et al. ACS Infect Dis. 2019 Apr 12;5(4):528-538. doi: 10.1021/acsinfecdis.8b00240. Epub 2019 Mar 7. ACS Infect Dis. 2019. PMID: 30788955
However, the recent emergence of extended-spectrum AmpC cephalosporinases, their resistance to inhibition by classic β-lactamase inhibitors, and the fact that they can contribute to carbapenem resistance when paired with impermeability mechanisms, means that these enzymes …
However, the recent emergence of extended-spectrum AmpC cephalosporinases, their resistance to inhibition by classic β-lactamase inhi …
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