Construction of 3D-QSAR models using the 4D-QSAR analysis formalism AJ Hopfinger, S Wang, JS Tokarski, B Jin, M Albuquerque, PJ Madhav, ... Journal of the American Chemical Society 119 (43), 10509-10524, 1997 | 558 | 1997 |
Snake venom thrombin-like enzymes: from reptilase to now HC Castro, RB Zingali, MG Albuquerque, M Pujol-Luz, CR Rodrigues Cellular and Molecular Life Sciences CMLS 61, 843-856, 2004 | 276 | 2004 |
Modelagem molecular: uma ferramenta para o planejamento racional de fármacos em química medicinal EJ Barreiro, CR Rodrigues, MG Albuquerque, CMR Sant'Anna, ... Química nova 20, 300-310, 1997 | 106 | 1997 |
Synthesis, antichagasic in vitro evaluation, cytotoxicity assays, molecular modeling and SAR/QSAR studies of a 2-phenyl-3-(1-phenyl-1H-pyrazol-4-yl)-acrylic acid benzylidene … MAF Vera-DiVaio, ACC Freitas, HC Castro, S de Albuquerque, LM Cabral, ... Bioorganic & medicinal chemistry 17 (1), 295-302, 2009 | 92 | 2009 |
HIV-1 reverse transcriptase: a therapeutical target in the spotlight HC Castro, NIV Loureiro, M Pujol-Luz, AMT Souza, MG Albuquerque, ... Current medicinal chemistry 13 (3), 313-324, 2006 | 74 | 2006 |
Four-Dimensional Quantitative Structure−Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor … MG Albuquerque, AJ Hopfinger, EJ Barreiro, RB de Alencastro Journal of chemical information and computer sciences 38 (5), 925-938, 1998 | 69 | 1998 |
Quantitative structure-activity relationships of antioxidant phenolic compounds. LVB Hoelz, BAC Horta, JQ Araújo, MG Albuquerque, RB Alencastro, ... | 61 | 2010 |
SAR of a series of anti-HSV-1 acridone derivatives, and a rational acridone-based design of a new anti-HSV-1 3H-benzo [b] pyrazolo [3, 4-h]-1, 6-naphthyridine series AMR Bernardino, HC Castro, ICPP Frugulhetti, NIV Loureiro, AR Azevedo, ... Bioorganic & medicinal chemistry 16 (1), 313-321, 2008 | 59 | 2008 |
Docking of the alkaloid geissospermine into acetylcholinesterase: a natural scaffold targeting the treatment of Alzheimer’s disease JQ Araújo, JA Lima, AC Pinto, RB De Alencastro, MG Albuquerque Journal of Molecular Modeling 17, 1401-1412, 2011 | 48 | 2011 |
Molecular modeling studies of the structural, electronic, and UV absorption properties of benzophenone derivatives BAM Corrêa, AS Gonçalves, AMT de Souza, CA Freitas, LM Cabral, ... The Journal of Physical Chemistry A 116 (45), 10927-10933, 2012 | 46 | 2012 |
3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes EFF da Cunha, W Sippl, T de Castro Ramalho, OAC Antunes, ... European journal of medicinal chemistry 44 (11), 4344-4352, 2009 | 46 | 2009 |
Construction of 4D-QSAR models for use in the design of novel p38-MAPK inhibitors NC Romeiro, MG Albuquerque, RB de Alencastro, M Ravi, AJ Hopfinger Journal of computer-aided molecular design 19, 385-400, 2005 | 42 | 2005 |
LIV-3D-QSAR model for estrogen receptor ligands EFF da Cunha, RCA Martins, MG Albuquerque, RB de Alencastro Journal of Molecular Modeling 10, 297-304, 2004 | 41 | 2004 |
Trypanosoma cruzi: Insights into naphthoquinone effects on growth and proteinase activity SC Bourguignon, DFB Cavalcanti, AMT de Souza, HC Castro, ... Experimental parasitology 127 (1), 160-166, 2011 | 40 | 2011 |
Experimental and theoretical structural analysis of Zn (II)‐1‐hydroxyethane‐1, 1‐diphosphonic acid corrosion inhibitor films in chloride ions solution LY Reznik, L Sathler, MJB Cardoso, MG Albuquerque Materials and corrosion 59 (8), 685-690, 2008 | 40 | 2008 |
Pseudo-peptides derived from isomannide as potential inhibitors of serine proteases EMF Muri, M Gomes, MG Albuquerque, EFF da Cunha, RB de Alencastro, ... Amino acids 28, 413-419, 2005 | 39 | 2005 |
Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5 … TU da Silva, KC Pougy, MG Albuquerque, CH da Silva Lima, SP Machado Journal of Biomolecular Structure and Dynamics 40 (8), 3481-3491, 2022 | 34 | 2022 |
4D-QSAR models of HOE/BAY-793 analogues as HIV-1 protease inhihitors EFF Da Cunha, MG Albuquerque, OAC Antunes, RB de Alencastro QSAR & Combinatorial Science 24 (2), 240-253, 2005 | 34 | 2005 |
Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE) JQ Araújo, MA de Brito, LVB Hoelz, RB de Alencastro, HC Castro, ... European journal of medicinal chemistry 46 (1), 39-51, 2011 | 32 | 2011 |
Comparative study between the anti-P. falciparum activity of triazolopyrimidine, pyrazolopyrimidine and quinoline derivatives and the identification of new PfDHODH inhibitors FF Silveira, JO de Souza, LVB Hoelz, VR Campos, VAP Jabor, ... European Journal of Medicinal Chemistry 209, 112941, 2021 | 29 | 2021 |