Langer T - Search Results

1

Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecular Dynamics Simulation.

Muchtaridi M, Yusuf M, Syahidah HN, Subarnas A, Zamri A, Bryant SD, Langer T. Muchtaridi M, et al. Among authors: langer t. Adv Appl Bioinform Chem. 2019 Nov 6;12:33-43. doi: 10.2147/AABC.S217205. eCollection 2019. Adv Appl Bioinform Chem. 2019. PMID: 31807030 Free PMC article.

2

Molecular Docking and 3D-Pharmacophore Modeling to Study the Interactions of Chalcone Derivatives with Estrogen Receptor Alpha.

Muchtaridi M, Syahidah HN, Subarnas A, Yusuf M, Bryant SD, Langer T. Muchtaridi M, et al. Among authors: langer t. Pharmaceuticals (Basel). 2017 Oct 16;10(4):81. doi: 10.3390/ph10040081. Pharmaceuticals (Basel). 2017. PMID: 29035298 Free PMC article.

3

The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing.

Ortuso F, Bagetta D, Maruca A, Talarico C, Bolognesi ML, Haider N, Borges F, Bryant S, Langer T, Senderowitz H, Alcaro S. Ortuso F, et al. Among authors: langer t. Front Chem. 2018 Apr 19;6:130. doi: 10.3389/fchem.2018.00130. eCollection 2018. Front Chem. 2018. PMID: 29725591 Free PMC article.

4

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks.

Wieder O, Kuenemann M, Wieder M, Seidel T, Meyer C, Bryant SD, Langer T. Wieder O, et al. Among authors: langer t. Molecules. 2021 Oct 13;26(20):6185. doi: 10.3390/molecules26206185. Molecules. 2021. PMID: 34684766 Free PMC article.

5

Hit finding: towards 'smarter' approaches.

Langer T, Hoffmann R, Bryant S, Lesur B. Langer T, et al. Curr Opin Pharmacol. 2009 Oct;9(5):589-93. doi: 10.1016/j.coph.2009.06.001. Epub 2009 Jul 1. Curr Opin Pharmacol. 2009. PMID: 19576852 Review.

6

Chemical function based pharmacophore generation of endothelin-A selective receptor antagonists.

Funk OF, Kettmann V, Drimal J, Langer T. Funk OF, et al. Among authors: langer t. J Med Chem. 2004 May 20;47(11):2750-60. doi: 10.1021/jm031041j. J Med Chem. 2004. PMID: 15139753

7

Rational drug design paradigms: the odyssey for designing better drugs.

Kellici T, Ntountaniotis D, Vrontaki E, Liapakis G, Moutevelis-Minakakis P, Kokotos G, Hadjikakou S, Tzakos AG, Afantitis A, Melagraki G, Bryant S, Langer T, Di Marzo V, Mavromoustakos T. Kellici T, et al. Among authors: langer t. Comb Chem High Throughput Screen. 2015;18(3):238-56. doi: 10.2174/1386207318666150305125638. Comb Chem High Throughput Screen. 2015. PMID: 25747445 Review.

8

GRAIL: GRids of phArmacophore Interaction fieLds.

Schuetz DA, Seidel T, Garon A, Martini R, Körbel M, Ecker GF, Langer T. Schuetz DA, et al. Among authors: langer t. J Chem Theory Comput. 2018 Sep 11;14(9):4958-4970. doi: 10.1021/acs.jctc.8b00495. Epub 2018 Aug 20. J Chem Theory Comput. 2018. PMID: 30075621

9

Non-peptide angiotensin II receptor antagonists: chemical feature based pharmacophore identification.

Krovat EM, Langer T. Krovat EM, et al. Among authors: langer t. J Med Chem. 2003 Feb 27;46(5):716-26. doi: 10.1021/jm021032v. J Med Chem. 2003. PMID: 12593652

10

Evaluating the stability of pharmacophore features using molecular dynamics simulations.

Wieder M, Perricone U, Boresch S, Seidel T, Langer T. Wieder M, et al. Among authors: langer t. Biochem Biophys Res Commun. 2016 Feb 12;470(3):685-689. doi: 10.1016/j.bbrc.2016.01.081. Epub 2016 Jan 16. Biochem Biophys Res Commun. 2016. PMID: 26785387

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