Works matching DE "STRUCTURE-activity relationship in pharmacology"
Results: 398
Structure-reactivity modeling using mixture-based representation of chemical reactions.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 9, p. 829, doi. 10.1007/s10822-017-0044-3
- By:
- Publication type:
- Article
Exploring sets of molecules from patents and relationships to other active compounds in chemical space networks.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 9, p. 779, doi. 10.1007/s10822-017-0061-2
- By:
- Publication type:
- Article
Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 9, p. 801, doi. 10.1007/s10822-017-0039-0
- By:
- Publication type:
- Article
Docking-undocking combination applied to the D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 805, doi. 10.1007/s10822-016-9979-z
- By:
- Publication type:
- Article
Improved pose and affinity predictions using different protocols tailored on the basis of data availability.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 817, doi. 10.1007/s10822-016-9982-4
- By:
- Publication type:
- Article
Modeling ligand recognition at the P2Y receptor in light of X-ray structural information.
- Published in:
- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 8, p. 737, doi. 10.1007/s10822-015-9858-z
- By:
- Publication type:
- Article
Structure-activity relationships of thiostrepton derivatives: implications for rational drug design.
- Published in:
- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 12, p. 1205, doi. 10.1007/s10822-014-9797-0
- By:
- Publication type:
- Article
Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapes.
- Published in:
- Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 2, p. 61, doi. 10.1007/s10822-014-9719-1
- By:
- Publication type:
- Article
Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 983, doi. 10.1007/s10822-012-9593-7
- By:
- Publication type:
- Article
QM/MM based 3D QSAR models for potent B-Raf inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 385, doi. 10.1007/s10822-010-9337-5
- By:
- Publication type:
- Article
Quantitative Series Enrichment Analysis (QSEA): a novel procedure for 3D-QSAR analysis.
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 8, p. 541, doi. 10.1007/s10822-008-9195-6
- By:
- Publication type:
- Article
QSAR: dead or alive?
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 2, p. 81, doi. 10.1007/s10822-007-9162-7
- By:
- Publication type:
- Article
Three-dimensional quantitative structure-activity relationship (3D QSAR) and pharmacophore elucidation of tetrahydropyran derivatives as serotonin and norepinephrine transporter inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 1, p. 1, doi. 10.1007/s10822-007-9146-7
- By:
- Publication type:
- Article
Variable selection and model validation of 2D and 3D molecular descriptors>.
- Published in:
- Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 7-9, p. 451, doi. 10.1007/s10822-004-5202-8
- By:
- Publication type:
- Article
Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics.
- Published in:
- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 2-4, p. 265, doi. 10.1023/A:1025366721142
- By:
- Publication type:
- Article
Rational selection of training and test sets for the development of validated QSAR models.
- Published in:
- Journal of Computer-Aided Molecular Design, 2003, v. 17, n. 2-4, p. 241, doi. 10.1023/A:1025386326946
- By:
- Publication type:
- Article
Highly potent and selective inhibition of varicella-zoster virus replication by bicyclic furo[2,3-d]pyrimidine nucleoside analogues (This work was presented at the Symposium on Non-HIV Antivirals at the 224th American Chemical Society Meeting at Boston, MA, August 1822, 2002.)
- Published in:
- Medicinal Research Reviews, 2003, v. 23, n. 3, p. 253, doi. 10.1002/med.10035
- By:
- Publication type:
- Article
Isolation of a lupane triterpene fatty acid ester with antibacterial activity from the leaves of Finlaysonia obovata.
- Published in:
- Chemistry of Natural Compounds, 2012, v. 48, n. 1, p. 161, doi. 10.1007/s10600-012-0191-7
- By:
- Publication type:
- Article
QSAR-analysis of 1-[2-(R-phenylimino)-4-methyl-3-(3-[morpholine-4-yl]propyl)-2,3-dihydro-1,3-thiazol-5-yl]ethane-1-one's derivatives as potential antioxidants.
- Published in:
- Pharmacia (0428-0296), 2019, v. 66, n. 1, p. 33, doi. 10.3897/pharmacia.66.e35083
- By:
- Publication type:
- Article
G-protein coupled receptors: SAR analyses of neurotransmitters and antagonists.
- Published in:
- Journal of Clinical Pharmacy & Therapeutics, 2004, v. 29, n. 3, p. 279, doi. 10.1111/j.1365-2710.2004.00563.x
- By:
- Publication type:
- Article
NMR and protein structure in drug design: application to cyclotides and conotoxins.
- Published in:
- European Biophysics Journal, 2011, v. 40, n. 4, p. 359, doi. 10.1007/s00249-011-0672-9
- By:
- Publication type:
- Article
Design, Synthesis and Biological Evaluation of Novel Peptide-Like Analogues as Selective COX-2 Inhibitors.
- Published in:
- Iranian Journal of Pharmaceutical Research, 2018, v. 17, n. 1, p. 87
- By:
- Publication type:
- Article
Evaluation of Novel α-(Acyloxy)-α-(Quinolin-4-yl) Acetamides as Antiplasmodial Agents.
- Published in:
- Iranian Journal of Pharmaceutical Research, 2017, v. 16, n. 3, p. 924
- By:
- Publication type:
- Article
Inhibition of Monoamine Oxidase by Stilbenes from Rheum palmatum.
- Published in:
- Iranian Journal of Pharmaceutical Research, 2016, v. 15, n. 4, p. 885
- By:
- Publication type:
- Article
Novel N-2-(Furyl)-2-(Chlorobenzyloxyimino) Ethyl Piperazinyl Quinolones: Synthesis, Cytotoxic Evaluation and Structure-Activity Relationship.
- Published in:
- Iranian Journal of Pharmaceutical Research, 2015, v. 14, n. 4, p. 1095
- By:
- Publication type:
- Article
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING ON IN VITRO ENDOCRINE EFFECTS AND METABOLIC STABILITY INVOLVING 26 SELECTED BROMINATED FLAME RETARDANTS.
- Published in:
- Environmental Toxicology & Chemistry, 2007, v. 26, n. 4, p. 816, doi. 10.1897/06-308R.1
- By:
- Publication type:
- Article
Discriminative stimulus properties of indorenate, a 5-HT [sub1A] , 5-HT [sub1B] and 5-HT [sub2C] agonist: a study in rats.
- Published in:
- Journal of Psychopharmacology, 2001, v. 15, n. 1, p. 29, doi. 10.1177/026988110101500106
- By:
- Publication type:
- Article
Selective imidazoline I 2 ligands do not show antidepressant-like activity in the forced swim test in mice.
- Published in:
- Journal of Psychopharmacology, 2001, v. 15, n. 1, p. 18, doi. 10.1177/026988110101500104
- By:
- Publication type:
- Article
Imidazolium salts with antifungal potential against multidrug-resistant dermatophytes.
- Published in:
- Journal of Applied Microbiology, 2015, v. 119, n. 2, p. 377, doi. 10.1111/jam.12862
- By:
- Publication type:
- Article
NEUROTOXICITY EVALUATION OF FENTANYL ANALOGS IN RATS.
- Published in:
- Acta Veterinaria, 2012, v. 62, n. 1, p. 3, doi. 10.2298/AVB1201003V
- By:
- Publication type:
- Article
Tandem Favorskii Intermediate/Cyclization Leading to Tricyclo[4.4.0.0]decanediones.
- Published in:
- Synthetic Communications, 2006, v. 36, n. 7, p. 929, doi. 10.1080/00397910500466207
- By:
- Publication type:
- Article
Forthcoming events.
- Published in:
- Journal of the Royal Society of Medicine, 1991, v. 84, n. 8, p. 487
- Publication type:
- Article
Novel Thiazolo[5,4-b]phenothiazine Derivatives: Synthesis, Structural Characterization, and In Vitro Evaluation of Antiproliferative Activity against Human Leukaemia.
- Published in:
- International Journal of Molecular Sciences, 2017, v. 18, n. 7, p. 1365, doi. 10.3390/ijms18071365
- By:
- Publication type:
- Article
Oximes: Inhibitors of Human Recombinant Acetylcholinesterase. A Structure-Activity Relationship (SAR) Study.
- Published in:
- International Journal of Molecular Sciences, 2013, v. 14, n. 8, p. 16882, doi. 10.3390/ijms140816882
- By:
- Publication type:
- Article
Structure-Based Druggability Assessment of the Mammalian Structural Proteome with Inclusion of Light Protein Flexibility.
- Published in:
- PLoS Computational Biology, 2014, v. 10, n. 7, p. 1, doi. 10.1371/journal.pcbi.1003741
- By:
- Publication type:
- Article
ANALYZING MICROARRAY DATA WITH TRANSITIVE DIRECTED ACYCLIC GRAPHS.
- Published in:
- Journal of Bioinformatics & Computational Biology, 2009, v. 7, n. 1, p. 135, doi. 10.1142/S0219720009003972
- By:
- Publication type:
- Article
Identifizierung und Strukturbestimmung eines niedermolekularen Aktivators der LFA-1/ICAM-1-Bindung.
- Published in:
- Angewandte Chemie, 2014, v. 126, n. 17, p. 4410, doi. 10.1002/ange.201310240
- By:
- Publication type:
- Article
Total Synthesis and Complete Structural Assignment of Gambieric Acid A, a Large Polycyclic Ether Marine Natural Product.
- Published in:
- Chemical Record, 2014, v. 14, n. 4, p. 678, doi. 10.1002/tcr.201402052
- By:
- Publication type:
- Article
Complete regression and systemic protective immune responses obtained in B16 melanomas after treatment with LTX-315.
- Published in:
- Cancer Immunology, Immunotherapy, 2014, v. 63, n. 6, p. 601, doi. 10.1007/s00262-014-1540-0
- By:
- Publication type:
- Article
Synthesis, Antimicrobial Evaluation, and Structure Activity Relationship Studies of New Biphenyl-2-Carbonitrile Clubbed 1,3,4-Oxadiazole Derivatives.
- Published in:
- Pharmaceutical Chemistry Journal, 2015, v. 49, n. 8, p. 523, doi. 10.1007/s11094-015-1320-y
- By:
- Publication type:
- Article
Synthesis of New Chloroquine Derivatives as Antimalarial Agents.
- Published in:
- Pharmaceutical Chemistry Journal, 2015, v. 49, n. 8, p. 537, doi. 10.1007/s11094-015-1322-9
- By:
- Publication type:
- Article
Synthesis and Antiarrhythmic Activity of N-[2-(1-Adamantylamino)-2-Oxoethyl]-N-(Aminoalkyl)Nitrobenzamides.
- Published in:
- Pharmaceutical Chemistry Journal, 2014, v. 48, n. 4, p. 225, doi. 10.1007/s11094-014-1082-y
- By:
- Publication type:
- Article
5-Ht Receptor Antagonists. V. Structure - Activity Relationship of (4-Phenylsulfonyloxazol-5-yl)amines.
- Published in:
- Pharmaceutical Chemistry Journal, 2013, v. 46, n. 11, p. 639, doi. 10.1007/s11094-013-0861-1
- By:
- Publication type:
- Article
Antagonists of serotonin 5-HT receptors. iv. synthesis and structure-activity interactions in amines containing the 3-(arylsulfonyl)-2-(methylthio)pyrazolo[1,5- a]pyrimidine fragment.
- Published in:
- Pharmaceutical Chemistry Journal, 2013, v. 46, n. 10, p. 595, doi. 10.1007/s11094-013-0853-1
- By:
- Publication type:
- Article
Structure-activity relationship in a series of natural and synthetic inhibitors of 5-lipoxygenase catalytic activity.
- Published in:
- Pharmaceutical Chemistry Journal, 2012, v. 46, n. 9, p. 553, doi. 10.1007/s11094-012-0846-5
- By:
- Publication type:
- Article
Computer analysis of the structure - antidepressant activity relationship in series of 1,2,4-triazole and thietane-1,1-dioxide derivatives.
- Published in:
- Pharmaceutical Chemistry Journal, 2012, v. 46, n. 4, p. 213, doi. 10.1007/s11094-012-0764-6
- By:
- Publication type:
- Article
Isolation and structure elucidation of natural antioxidants from leaves of Rauvolfia beddomethe -an endemic/endangered medicinal plant from SouthWestern Ghats of India.
- Published in:
- Pharmaceutical Chemistry Journal, 2012, v. 46, n. 1, p. 35, doi. 10.1007/s11094-012-0730-3
- By:
- Publication type:
- Article
Targeted search for a lead compound in a series of cinnamic acid derivatives possessing antiradical activity.
- Published in:
- Pharmaceutical Chemistry Journal, 2010, v. 44, n. 7, p. 360, doi. 10.1007/s11094-010-0468-8
- By:
- Publication type:
- Article
Synthesis and pharmacological activity of 9- R-2-halogenophenylimidazo[1,2- a]benzimidazoles.
- Published in:
- Pharmaceutical Chemistry Journal, 2010, v. 44, n. 7, p. 345, doi. 10.1007/s11094-010-0465-y
- By:
- Publication type:
- Article
Computer design of trans-stilbene derivatives with pronounced anti-inflammatory activity and low toxicity.
- Published in:
- Pharmaceutical Chemistry Journal, 2009, v. 43, n. 9, p. 505, doi. 10.1007/s11094-009-0336-6
- By:
- Publication type:
- Article