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Structure-activity relationship study of human liver microsomes-catalyzed hydrolysis rate of ester prodrugs of MENT by comparative molecular field analysis (CoMFA)BURSI, Roberta; GROOTENHUIS, Arijan; VAN DER LOUW, Jaap et al.Steroids. 2003, Vol 68, Num 3, pp 213-220, issn 0039-128X, 8 p.Article

Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activatorsVISENTIN, Sonja; ERMONDI, Giuseppe; MEDANA, Claudio et al.European journal of medicinal chemistry. 2012, Vol 55, pp 188-194, issn 0223-5234, 7 p.Article

Computational analysis of structure-based interactions and ligand properties can predict efflux effects on antibioticsSARKAR, Aurijit; ANDERSON, Kelcey C; KELLOGG, Glen E et al.European journal of medicinal chemistry. 2012, Vol 52, pp 98-110, issn 0223-5234, 13 p.Article

Biochemical and pharmacological evaluation of 4-hydroxychromen-2-ones bearing polar C-3 substituents as anticoagulantsMLADENOVIC, Milan; MIHAILOVIC, Mirjana; SOLUJIC, Slavica et al.European journal of medicinal chemistry. 2012, Vol 54, pp 144-158, issn 0223-5234, 15 p.Article

Design, synthesis and 3D-QSAR analysis of novel 2-hydrazinyl-4-morpholinothieno[3,2-d]pyrimidine derivatives as potential antitumor agentsWUFU ZHU; YAJING LIU; XIN ZHAI et al.European journal of medicinal chemistry. 2012, Vol 57, pp 162-175, issn 0223-5234, 14 p.Article

Brassinolide activities of 2α,3α-diols versus 3α,4α-diols in the bean second internode bioassay : Explanation by molecular modeling methodsSISA, Miroslau; VILAPLANA-POLO, Marc; BROSA BALLESTEROS, Carme et al.Steroids. 2007, Vol 72, Num 11-12, pp 740-750, issn 0039-128X, 11 p.Article

In silico study on hydroxylated polychlorinated biphenyls as androgen receptor antagonistsXIAOLIN LI; LI YE; WEI SHI et al.Ecotoxicology and environmental safety (Print). 2013, Vol 92, pp 258-264, issn 0147-6513, 7 p.Article

3D-QSAR study of corticotropin-releasing factor 1 antagonists and pharmacophore-based drug designYINGDA YE; QINGHUA LIAO; JING WEI et al.Neurochemistry international. 2010, Vol 56, Num 1, pp 107-117, issn 0197-0186, 11 p.Article

Three-dimensional models of non-steroidal ligands : A comparative molecular field analysisMENEZES, Irwin R. A; LEITAO, Andrei; MONTANARI, Carlos A et al.Steroids. 2006, Vol 71, Num 6, pp 417-428, issn 0039-128X, 12 p.Article

Preliminary analysis of toxicity of benzoxazinones and their metabolites for Folsomia candidaPIPARO, Elena Lo; SMIESKO, Martin; MAZZATORTA, Paolo et al.Journal of agricultural and food chemistry (Print). 2006, Vol 54, Num 4, pp 1099-1104, issn 0021-8561, 6 p.Article

Synthesis and structure-activity relationships of dinotefuran derivatives: Modification in the tetrahydro-3-furylmethyl partWAKITA, Takeo; KINOSHITA, Katsutoshi; KODAKA, Kenji et al.Nippon Noyaku Gakkaishi. 2004, Vol 29, Num 4, pp 356-363, issn 0385-1559, 8 p.Article

A comparative molecular field analysis of the biotransformation of sulfides by Rhodococcus erythropolisFRENCH, Jarrod B; HOLLAND, Giles; HOLLAND, Herbert L et al.Journal of molecular catalysis. B, Enzymatic. 2004, Vol 31, Num 4-6, pp 87-96, issn 1381-1177, 10 p.Article

Computational approaches to modeling drug transportersCHENG CHANG; SWAAN, Peter W.European journal of pharmaceutical sciences. 2006, Vol 27, Num 5, pp 411-424, issn 0928-0987, 14 p.Article

Multiway calibration in 3D QSARNILSSON, J; DE JONG, S; SMILDE, A. K et al.Journal of chemometrics. 1997, Vol 11, Num 6, pp 511-524, issn 0886-9383Article

Quantitative studies on structure-ORAC relationships of anthocyanins from eggplant and radish using 3D-QSARPU JING; SHUJUAN ZHAO; SIYU RUAN et al.Food chemistry. 2014, Vol 145, pp 365-371, issn 0308-8146, 7 p.Article

Enaminones 8 : CoMFA and CoMSIA studies on some anticonvulsant enaminonesJACKSON, Patrice L; SCOTT, K. R; SOUTHERLAND, William M et al.Bioorganic & medicinal chemistry. 2009, Vol 17, Num 1, pp 133-140, issn 0968-0896, 8 p.Article

Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(substituted phenoxyacetoxy)alkylphosphonates to the E1 component of pyruvate dehydrogenaseHAO PENG; TAO WANG; PENG XIE et al.Journal of agricultural and food chemistry (Print). 2007, Vol 55, Num 5, pp 1871-1880, issn 0021-8561, 10 p.Article

Alignment Independent 3D-QSAR Modeling of Fullerene (C60) Solubility in Different Organic SolventsGHASEMI, Jahan B; SALAHINEJAD, Maryam; ROFOUEI, M. K et al.Fullerenes, nanotubes, and carbon nanostructures (Print). 2013, Vol 21, Num 1-5, pp 367-380, issn 1536-383X, 14 p.Article

Structure-activity relationships from in vitro efficacies of the thiazolide series against the intracellular apicomplexan protozoan Neospora caninumESPOSITO, Marco; MÜLLER, Norbert; HEMPHILL, Andrew et al.International journal for parasitology. 2007, Vol 37, Num 2, pp 183-190, issn 0020-7519, 8 p.Article

Development of quantitative structure-activity relationships and its application in rational drug design : SARS-CoV: A scénario of modern drug designYANG, Guang-Fu; XIAOQIN HUANG.Current pharmaceutical design. 2006, Vol 12, Num 35, pp 4601-4611, issn 1381-6128, 11 p.Article

3D-QSAR Studies on a Series of Inhibitors Docked into a New Homology Model of the DNA-PK ReceptorRAN CAO; HUAHUI ZENG; HUABEI ZHANG et al.Current pharmaceutical design (Print). 2009, Vol 15, Num 32, pp 3796-3825, issn 1381-6128, 30 p.Article

Relationships Between Molecular Structure and Perceived Odor Quality of Ligands for a Human Olfactory ReceptorSANZ, Guenhaël; THOMAS-DANGUIN, Thierry; HAMDANI, El Hassan et al.Chemical senses. 2008, Vol 33, Num 7, pp 639-653, issn 0379-864X, 15 p.Article

Three-dimensional quantitative structure activity relationship (3D-QSAR) analysis for in vitro toxicity of chlorophenols to HepG2 cellsLIU, Y; CHEN, J. N; ZHAO, J. S et al.Chemosphere (Oxford). 2005, Vol 60, Num 6, pp 791-795, issn 0045-6535, 5 p.Conference Paper

Activity screening and structure-activity relationship of the hit compounds targeting APN/CD13XUEJIAN WANG; FANBO JING; HUAWEI ZHU et al.Fundamental & clinical pharmacology. 2011, Vol 25, Num 2, pp 217-228, issn 0767-3981, 12 p.Article

Current Pharmaceutical Design of Antituberculosis Drugs: Future PerspectivesSPECK-PLANCHE, Alejandro; SCOTTI, Marcus Tulius; DE PAULO-EMERENCIANO, Vicente et al.Current pharmaceutical design (Print). 2010, Vol 16, Num 24, pp 2656-2665, issn 1381-6128, 10 p.Article

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