Fanelli F - Search Results

1

Synthesis, screening, and molecular modeling of new potent and selective antagonists at the alpha 1d adrenergic receptor.

Leonardi A, Barlocco D, Montesano F, Cignarella G, Motta G, Testa R, Poggesi E, Seeber M, De Benedetti PG, Fanelli F. Leonardi A, et al. Among authors: fanelli f. J Med Chem. 2004 Apr 8;47(8):1900-18. doi: 10.1021/jm030944+. J Med Chem. 2004. PMID: 15055991

2

Alpha 1-adrenoceptor subtype selectivity: molecular modelling and theoretical quantitative structure-affinity relationships.

De Benedetti PG, Fanelli F, Menziani MC, Cocchi M, Testa R, Leonardi A. De Benedetti PG, et al. Among authors: fanelli f. Bioorg Med Chem. 1997 May;5(5):809-16. doi: 10.1016/s0968-0896(97)00007-2. Bioorg Med Chem. 1997. PMID: 9208092

3

Isoxazolo-[3,4-d]-pyridazin-7-(6H)-ones and their corresponding 4,5-disubstituted-3-(2H)-pyridazinone analogues as new substrates for alpha1-adrenoceptor selective antagonists: synthesis, modeling, and binding studies.

Montesano F, Barlocco D, Dal Piaz V, Leonardi A, Poggesi E, Fanelli F, De Benedetti PG. Montesano F, et al. Among authors: fanelli f. Bioorg Med Chem. 1998 Jul;6(7):925-35. doi: 10.1016/s0968-0896(98)00056-x. Bioorg Med Chem. 1998. PMID: 9730228

4

Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists.

Barlocco D, Cignarella G, Piaz VD, Giovannoni MP, De Benedetti PG, Fanelli F, Montesano F, Poggesi E, Leonardi A. Barlocco D, et al. Among authors: fanelli f. J Med Chem. 2001 Jul 19;44(15):2403-10. doi: 10.1021/jm0009336. J Med Chem. 2001. PMID: 11448222

5

Molecular dynamics simulations of m3-muscarinic receptor activation and QSAR analysis.

Fanelli F, Menziani MC, De Benedetti PG. Fanelli F, et al. Bioorg Med Chem. 1995 Nov;3(11):1465-77. doi: 10.1016/0968-0896(95)00131-y. Bioorg Med Chem. 1995. PMID: 8634826

6

Molecular dynamics simulations of the ligand-induced chemical information transfer in the 5-HT(1A) receptor.

Seeber M, De Benedetti PG, Fanelli F. Seeber M, et al. Among authors: fanelli f. J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1520-31. doi: 10.1021/ci034069c. J Chem Inf Comput Sci. 2003. PMID: 14502486

7

In silico screening of mutational effects on transmembrane helix dimerization: insights from rigid-body docking and molecular dynamics simulations.

Dell'Orco D, De Benedetti PG, Fanelli F. Dell'Orco D, et al. Among authors: fanelli f. J Phys Chem B. 2007 Aug 2;111(30):9114-24. doi: 10.1021/jp071383r. Epub 2007 Jun 28. J Phys Chem B. 2007. PMID: 17602582

8

Computational modeling of intramolecular and intermolecular communication in GPCRs.

Fanelli F, De Benedetti PG, Raimondi F, Seeber M. Fanelli F, et al. Curr Protein Pept Sci. 2009 Apr;10(2):173-85. doi: 10.2174/138920309787847554. Curr Protein Pept Sci. 2009. PMID: 19355984 Review.

9

Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novel α1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, and α1d computational study.

Carrieri A, Piergentili A, Del Bello F, Giannella M, Pigini M, Leonardi A, Fanelli F, Quaglia W. Carrieri A, et al. Among authors: fanelli f. Bioorg Med Chem. 2010 Oct 1;18(19):7065-77. doi: 10.1016/j.bmc.2010.08.002. Epub 2010 Aug 6. Bioorg Med Chem. 2010. PMID: 20801662

10

Multiscale quantum chemical approaches to QSAR modeling and drug design.

De Benedetti PG, Fanelli F. De Benedetti PG, et al. Among authors: fanelli f. Drug Discov Today. 2014 Dec;19(12):1921-7. doi: 10.1016/j.drudis.2014.09.024. Epub 2014 Oct 2. Drug Discov Today. 2014. PMID: 25281852 Review.

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