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Publikationer i urvalet

15 träffar

Bibliografisk träff 2012-12-20

Bifunctional inhibition of HIV-1 reverse transcriptase: a first step in designing a bifunctional triphosphate.

Piao D, Basavapathruni A, Iyidogan P, Dai G, Hinz W, Ray AS, Murakami E, Feng JY, You F, Dutschman GE, Austin DJ, Parker KA, Anderson KS.

Bioorg Med Chem Lett · research-article; journal article; research support, n.i.h., extramural · DOI 10.1016/j.bmcl.2012.12.015

Bibliografisk träff 2010-01-14

Support vector machines: development of QSAR models for predicting anti-HIV-1 activity of TIBO derivatives.

Darnag R, Mostapha Mazouz EL, Schmitzer A, Villemin D, Jarid A, Cherqaoui D.

Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2010.01.002

Bibliografisk träff 2010-01-04

MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives.

Goodarzi M, Freitas MP.

Eur J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1016/j.ejmech.2009.12.028

Bibliografisk träff 2009-07-03

The search for potent, small molecule NNRTIs: A review.

Prajapati DG, Ramajayam R, Yadav MR, Giridhar R.

Bioorg Med Chem · review; journal article · DOI 10.1016/j.bmc.2009.06.060

Bibliografisk träff 2009-02-01

Specific targeting of highly conserved residues in the HIV-1 reverse transcriptase primer grip region. 2. Stereoselective interaction to overcome the effects of drug resistant mutations.

Butini S, Brindisi M, Cosconati S, Marinelli L, Borrelli G, Coccone SS, Ramunno A, Campiani G, Novellino E, Zanoli S, Samuele A, Giorgi G, Bergamini A, Di Mattia M, Lalli S, Galletti B, Gemma S, Maga G.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm801395v

Bibliografisk träff 2005-11-01

Specific targeting highly conserved residues in the HIV-1 reverse transcriptase primer grip region. Design, synthesis, and biological evaluation of novel, potent, and broad spectrum NNRTIs with antiviral activity.

Fattorusso C, Gemma S, Butini S, Huleatt P, Catalanotti B, Persico M, De Angelis M, Fiorini I, Nacci V, Ramunno A, Rodriquez M, Greco G, Novellino E, Bergamini A, Marini S, Coletta M, Maga G, Spadari S, Campiani G.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm050257d

Bibliografisk träff 2005-04-01

Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA.

Wang J, Kang X, Kuntz ID, Kollman PA.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1021/jm049606e

Bibliografisk träff 2005-03-01

From 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk](1,4)benzodiazepin-2(1H)-one (TIBO) to etravirine (TMC125): fifteen years of research on non-nucleoside inhibitors of HIV-1 reverse transcriptase.

De Corte BL.

J Med Chem · research support, non-u.s. gov't; review; journal article · DOI 10.1021/jm040127p

Bibliografisk träff 2003-05-01

Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues.

Kroeger Smith MB, Hose BM, Hawkins A, Lipchock J, Farnsworth DW, Rizzo RC, Tirado-Rives J, Arnold E, Zhang W, Hughes SH, Jorgensen WL, Michejda CJ, Smith RH.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1021/jm020271f

Bibliografisk träff 2002-07-01

Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations.

Rizzo RC, Udier-Blagović M, Wang DP, Watkins EK, Kroeger Smith MB, Smith RH, Tirado-Rives J, Jorgensen WL.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm010580q

Bibliografisk träff 2001-02-01

Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent.

Campiani G, Aiello F, Fabbrini M, Morelli E, Ramunno A, Armaroli S, Nacci V, Garofalo A, Greco G, Novellino E, Maga G, Spadari S, Bergamini A, Ventura L, Bongiovanni B, Capozzi M, Bolacchi F, Marini S, Coletta M, Guiso G, Caccia S.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm0010365

Bibliografisk träff 1999-03-01

Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculations.

Eriksson MA, Pitera J, Kollman PA.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1021/jm980277y

Bibliografisk träff 1998-12-01

Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.

Smith RH, Jorgensen WL, Tirado-Rives J, Lamb ML, Janssen PA, Michejda CJ, Kroeger Smith MB.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1021/jm9804174

Bibliografisk träff 1996-05-01

Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.

Silverman BD, Platt DE.

J Med Chem · comparative study; journal article · DOI 10.1021/jm950589q

Bibliografisk träff 1995-03-01

Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo-[4,5,1-jk][1,4]benzodiazepin- 2(1H)-one (TlBO) derivatives. 4.

Ho W, Kukla MJ, Breslin HJ, Ludovici DW, Grous PP, Diamond CJ, Miranda M, Rodgers JD, Ho CY, De Clercq E.

J Med Chem · journal article · DOI 10.1021/jm00005a006