112 related articles for article (PubMed ID: 18753687)
1. New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors.
Meneses-Marcel A; Rivera-Borroto OM; Marrero-Ponce Y; Montero A; Machado Tugores Y; Escario JA; Gómez Barrio A; Montero Pereira D; Nogal JJ; Kouznetsov VV; Ochoa Puentes C; Bohórquez AR; Grau R; Torrens F; Ibarra-Velarde F; Arán VJ
J Biomol Screen; 2008 Sep; 13(8):785-94. PubMed ID: 18753687
[TBL] [Abstract][Full Text] [Related]
2. Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.
Marrero-Ponce Y; Meneses-Marcel A; Castillo-Garit JA; Machado-Tugores Y; Escario JA; Barrio AG; Pereira DM; Nogal-Ruiz JJ; Arán VJ; Martínez-Fernández AR; Torrens F; Rotondo R; Ibarra-Velarde F; Alvarado YJ
Bioorg Med Chem; 2006 Oct; 14(19):6502-24. PubMed ID: 16875830
[TBL] [Abstract][Full Text] [Related]
3. Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.
Marrero-Ponce Y; Meneses-Marcel A; Rivera-Borroto OM; García-Domenech R; De Julián-Ortiz JV; Montero A; Escario JA; Barrio AG; Pereira DM; Nogal JJ; Grau R; Torrens F; Vogel C; Arán VJ
J Comput Aided Mol Des; 2008 Aug; 22(8):523-40. PubMed ID: 18483767
[TBL] [Abstract][Full Text] [Related]
4. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
[TBL] [Abstract][Full Text] [Related]
5. A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results.
Meneses-Marcel A; Marrero-Ponce Y; Machado-Tugores Y; Montero-Torres A; Pereira DM; Escario JA; Nogal-Ruiz JJ; Ochoa C; Arán VJ; Martínez-Fernández AR; García Sánchez RN
Bioorg Med Chem Lett; 2005 Sep; 15(17):3838-43. PubMed ID: 16005626
[TBL] [Abstract][Full Text] [Related]
6. TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
Casañola-Martín GM; Marrero-Ponce Y; Khan MT; Ather A; Sultan S; Torrens F; Rotondo R
Bioorg Med Chem; 2007 Feb; 15(3):1483-503. PubMed ID: 17110117
[TBL] [Abstract][Full Text] [Related]
7. Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis.
Castillo-Garit JA; Vega MC; Rolon M; Marrero-Ponce Y; Kouznetsov VV; Torres DF; Gómez-Barrio A; Bello AA; Montero A; Torrens F; Pérez-Giménez F
Eur J Pharm Sci; 2010 Jan; 39(1-3):30-6. PubMed ID: 19854271
[TBL] [Abstract][Full Text] [Related]
8. Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.
Marrero-Ponce Y; Siverio-Mota D; Gálvez-Llompart M; Recio MC; Giner RM; García-Domènech R; Torrens F; Arán VJ; Cordero-Maldonado ML; Esguera CV; de Witte PA; Crawford AD
Eur J Med Chem; 2011 Dec; 46(12):5736-53. PubMed ID: 22000935
[TBL] [Abstract][Full Text] [Related]
9. A sequential procedure for rapid and accurate identification of putative trichomonacidal agents.
Ibáñez-Escribano A; Meneses-Marcel A; Marrero-Ponce Y; Nogal-Ruiz JJ; Arán VJ; Gómez-Barrio A; Escario JA
J Microbiol Methods; 2014 Oct; 105():162-7. PubMed ID: 25107376
[TBL] [Abstract][Full Text] [Related]
10. A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices.
Marrero-Ponce Y; Machado-Tugores Y; Pereira DM; Escario JA; Barrio AG; Nogal-Ruiz JJ; Ochoa C; Arán VJ; Martínez-Fernández AR; Sánchez RN; Montero-Torres A; Torrens F; Meneses-Marcel A
Curr Drug Discov Technol; 2005 Dec; 2(4):245-65. PubMed ID: 16475921
[TBL] [Abstract][Full Text] [Related]
11. Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.
Martins Alho MA; Marrero-Ponce Y; Barigye SJ; Meneses-Marcel A; Machado Tugores Y; Montero-Torres A; Gómez-Barrio A; Nogal JJ; García-Sánchez RN; Vega MC; Rolón M; Martínez-Fernández AR; Escario JA; Pérez-Giménez F; Garcia-Domenech R; Rivera N; Mondragón R; Mondragón M; Ibarra-Velarde F; Lopez-Arencibia A; Martín-Navarro C; Lorenzo-Morales J; Cabrera-Serra MG; Piñero J; Tytgat J; Chicharro R; Arán VJ
Bioorg Med Chem; 2014 Mar; 22(5):1568-85. PubMed ID: 24513185
[TBL] [Abstract][Full Text] [Related]
12. Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity.
Marrero-Ponce Y; Medina-Marrero R; Torrens F; Martinez Y; Romero-Zaldivar V; Castro EA
Bioorg Med Chem; 2005 Apr; 13(8):2881-99. PubMed ID: 15781398
[TBL] [Abstract][Full Text] [Related]
13. Atom- and bond-based 2D TOMOCOMD-CARDD approach and ligand-based virtual screening for the drug discovery of new tyrosinase inhibitors.
Casañola-Martín GM; Marrero-Ponce Y; Tareq Hassan Khan M; Torrens F; Pérez-Giménez F; Rescigno A
J Biomol Screen; 2008 Dec; 13(10):1014-24. PubMed ID: 19015291
[TBL] [Abstract][Full Text] [Related]
14. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
Ponce YM; Diaz HG; Zaldivar VR; Torrens F; Castro EA
Bioorg Med Chem; 2004 Oct; 12(20):5331-42. PubMed ID: 15388160
[TBL] [Abstract][Full Text] [Related]
15. Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents.
Marrero-Ponce Y; Marrero RM; Torrens F; Martinez Y; Bernal MG; Zaldivar VR; Castro EA; Abalo RG
J Mol Model; 2006 Feb; 12(3):255-71. PubMed ID: 16270182
[TBL] [Abstract][Full Text] [Related]
16. [Antitrichomonal properties of an antiseptic drug cidizol-KB].
Kravchenko VG; Vasil'ev MM
Vestn Dermatol Venerol; 1984 Dec; (12):31-2. PubMed ID: 6335801
[No Abstract] [Full Text] [Related]
17. Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.
Montero-Torres A; García-Sánchez RN; Marrero-Ponce Y; Machado-Tugores Y; Nogal-Ruiz JJ; Martínez-Fernández AR; Arán VJ; Ochoa C; Meneses-Marcel A; Torrens F
Eur J Med Chem; 2006 Apr; 41(4):483-93. PubMed ID: 16545891
[TBL] [Abstract][Full Text] [Related]
18. Identification in silico and in vitro of novel trypanosomicidal drug-like compounds.
Castillo-Garit JA; Del Toro-Cortés O; Kouznetsov VV; Puentes CO; Romero Bohórquez AR; Vega MC; Rolón M; Escario JA; Gómez-Barrio A; Marrero-Ponce Y; Torrens F; Abad C
Chem Biol Drug Des; 2012 Jul; 80(1):38-45. PubMed ID: 22405194
[TBL] [Abstract][Full Text] [Related]
19. Prediction of tyrosinase inhibition activity using atom-based bilinear indices.
Marrero-Ponce Y; Khan MT; Casañola Martín GM; Ather A; Sultankhodzhaev MN; Torrens F; Rotondo R
ChemMedChem; 2007 Apr; 2(4):449-78. PubMed ID: 17366651
[TBL] [Abstract][Full Text] [Related]
20. A novel non-stochastic quadratic fingerprints-based approach for the 'in silico' discovery of new antitrypanosomal compounds.
Montero-Torres A; Vega MC; Marrero-Ponce Y; Rolón M; Gómez-Barrio A; Escario JA; Arán VJ; Martínez-Fernández AR; Meneses-Marcel A
Bioorg Med Chem; 2005 Nov; 13(22):6264-75. PubMed ID: 16115770
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]