Morao I - Search Results

1

Lead diversification. Application to existing drug molecules: mifepristone 1 and antalarmin 8.

Abid Masood M, Farrant E, Morao I, Bazin M, Perez M, Bunnage ME, Fancy SA, Peakman T. Abid Masood M, et al. Among authors: morao i. Bioorg Med Chem Lett. 2012 Jan 1;22(1):723-8. doi: 10.1016/j.bmcl.2011.10.066. Epub 2011 Oct 25. Bioorg Med Chem Lett. 2012. PMID: 22104142

2

Accuracy vs time dilemma on the prediction of NMR chemical shifts: a case study (chloropyrimidines).

Pérez M, Peakman TM, Alex A, Higginson PD, Mitchell JC, Snowden MJ, Morao I. Pérez M, et al. Among authors: morao i. J Org Chem. 2006 Apr 14;71(8):3103-10. doi: 10.1021/jo0600149. J Org Chem. 2006. PMID: 16599606

3

The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.

Skerratt SE, Andrews M, Bagal SK, Bilsland J, Brown D, Bungay PJ, Cole S, Gibson KR, Jones R, Morao I, Nedderman A, Omoto K, Robinson C, Ryckmans T, Skinner K, Stupple P, Waldron G. Skerratt SE, et al. Among authors: morao i. J Med Chem. 2016 Nov 23;59(22):10084-10099. doi: 10.1021/acs.jmedchem.6b00850. Epub 2016 Nov 4. J Med Chem. 2016. PMID: 27766865

4

Theoretical prediction of the enantiomeric excess in asymmetric catalysis. An alignment-independent molecular interaction field based approach.

Sciabola S, Alex A, Higginson PD, Mitchell JC, Snowden MJ, Morao I. Sciabola S, et al. Among authors: morao i. J Org Chem. 2005 Oct 28;70(22):9025-7. doi: 10.1021/jo051496b. J Org Chem. 2005. PMID: 16238344

5

Predicting intrinsic aqueous solubility by a thermodynamic cycle.

Palmer DS, Llinàs A, Morao I, Day GM, Goodman JM, Glen RC, Mitchell JB. Palmer DS, et al. Among authors: morao i. Mol Pharm. 2008 Mar-Apr;5(2):266-79. doi: 10.1021/mp7000878. Epub 2008 Feb 22. Mol Pharm. 2008. PMID: 18290628

6

Pharmacophoric fingerprint method (TOPP) for 3D-QSAR modeling: application to CYP2D6 metabolic stability.

Sciabola S, Morao I, de Groot MJ. Sciabola S, et al. Among authors: morao i. J Chem Inf Model. 2007 Jan-Feb;47(1):76-84. doi: 10.1021/ci060143q. J Chem Inf Model. 2007. PMID: 17238251

7

Drug discovery applications for KNIME: an open source data mining platform.

Mazanetz MP, Marmon RJ, Reisser CB, Morao I. Mazanetz MP, et al. Among authors: morao i. Curr Top Med Chem. 2012;12(18):1965-79. doi: 10.2174/156802612804910331. Curr Top Med Chem. 2012. PMID: 23110532 Review.

8

Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.

Heifetz A, Southey M, Morao I, Townsend-Nicholson A, Bodkin MJ. Heifetz A, et al. Among authors: morao i. Methods Mol Biol. 2018;1705:375-394. doi: 10.1007/978-1-4939-7465-8_19. Methods Mol Biol. 2018. PMID: 29188574

9

Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.

Chudyk EI, Sarrat L, Aldeghi M, Fedorov DG, Bodkin MJ, James T, Southey M, Robinson R, Morao I, Heifetz A. Chudyk EI, et al. Among authors: morao i. Methods Mol Biol. 2018;1705:179-195. doi: 10.1007/978-1-4939-7465-8_8. Methods Mol Biol. 2018. PMID: 29188563

10

Computational prediction of GPCR oligomerization.

Townsend-Nicholson A, Altwaijry N, Potterton A, Morao I, Heifetz A. Townsend-Nicholson A, et al. Among authors: morao i. Curr Opin Struct Biol. 2019 Apr;55:178-184. doi: 10.1016/j.sbi.2019.04.005. Epub 2019 Jun 4. Curr Opin Struct Biol. 2019. PMID: 31170578 Review.

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