Magaly Girão Albuquerque

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Lucas Villas Bôas HoelzPesquisador Farmanguinhos/Fiocruz - Professor IFRJVerified email at ifrj.edu.br
Camilo Henrique da Silva LimaUniversidade Federal do Rio de JaneiroVerified email at iq.ufrj.br
Alessandra M. Teles de SouzaMedicinal Chemistry Professor, Federal University of Rio de JaneiroVerified email at pharma.ufrj.br
Vitor Francisco FerreiraProfessor Titular em Química Orgânica da Universidade Federal FluminenseVerified email at id.uff.br
Elaine F.F. da CunhaProfessor of ChemistryVerified email at dqi.ufla.br
Bruno A. C. HortaProfessor do Instituto de Química, Universidade Federal do Rio de JaneiroVerified email at iq.ufrj.br
Luiza Rosaria Sousa DiasUniversidade Federal FluminenseVerified email at id.uff.br
Estela Maris Freitas MuriUniversidade Federal FluminenseVerified email at id.uff.br
Uiaran de Oliveira MagalhãesProfessor de Química Medicinal, Farmacognosia, Química Orgânica no Centro Universitário AugustoVerified email at souunisuam.com.br
Chaya DuraiswamiProduct Director (Safety & Efficacy), GlaxosmithklineVerified email at gsk.com
Baiqiang JinSwiss ReVerified email at swissre.com
Luiz Carlos da Silva PinheiroUniversidade do Estado do Rio de JaneiroVerified email at uerj.br
Carlos Mauricio R. Sant AnnaProfessor Titular do Departamento de Química, Universidade Federal Rural do Rio de JaneiroVerified email at ufrrj.br
Russolina B. ZingaliProfessor de Bioquímica Médica, Universidade Federal do Rio de JaneiroVerified email at bioqmed.ufrj.br
Paula Alvarez AbreuProfessora, Universidade Federal do Rio de JaneiroVerified email at macae.ufrj.br
Julliane Yoneda HugueninUniversidade Federal FluminenseVerified email at id.uff.br
Maria Cecília Bastos Vieira de souzaProfessora do Departamento de Química Orgânica da Universidade Federal FluminenseVerified email at id.uff.br
Samuel Silva da Rocha PitaProfessor de Química Farmacêutica, Universidade Federal da BahiaVerified email at ufba.br
Ana Carolina Rennó SoderoProfessora da Faculdade de Farmácia, Universidade Federal do Rio de JaneiroVerified email at pharma.ufrj.br

Magaly Girão Albuquerque

Professora de Química Orgânica, Universidade Federal do Rio de Janeiro

Verified email at iq.ufrj.br - Homepage

Modelagem molecular Planejamento de Fármacos QSAR


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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	554	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	270	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	114	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	90	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	73	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	70	1998
Quantitative structure-activity relationships of antioxidant phenolic compounds. LVB Hoelz, BAC Horta, JQ Araújo, MG Albuquerque, RB Alencastro, ...	59	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	55	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	47	2011
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
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	45	2012
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
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
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	40	2004
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	39	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
4D‐QSAR models of HOE/BAY‐793 analogues as HIV‐1 protease inhibitors E Fontes Ferreira da Cunha, MG Albuquerque, OA Ceva Antunes, ... QSAR & Combinatorial Science 24 (2), 240-253, 2005	34	2005
4D‐QSAR models of HOE/BAY‐793 analogues as HIV‐1 protease inhibitors E Fontes Ferreira da Cunha, MG Albuquerque, OA Ceva Antunes, ... 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	31	2011
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	29	2022

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