Keywords: روابط ساختاری-فعالیت; SMP; starfish myorelaxant peptide; SAR; structure-activity relationships; PP; pedal peptide; OK; orcokinin; ACh; acetylcholine; TFA; trifluoroacetic acid; RP; reversed-phase; HOBT; 1-hydroxybenzotriazole; DIPCI; N,N-diisopropylcarbodimide; ASW; artificial
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Keywords: روابط ساختاری-فعالیت; QPA; quaternary protoberberine alkaloid; TF; transcriptional factor; UC; ulcerative colitis; IEC-6; intestinal epithelial cell-6; XBP1; X-box-binding protein 1; MIC; minimal inhibitory concentration; SAR; structure-activity relationship; SASP; Sulfasalazi
Keywords: روابط ساختاری-فعالیت; COX-1; cyclooxigenase-1; COX-2; cyclooxigenase-2; NSAIDs; nonsteroidal antiinflammatory drugs; PG; prostaglandin; PGH2; prostaglandin G2; SAR; structure-activity relationships; QSAR; quantitative structure-activity relationships; ACHN; 1,1â²-azobis(cyano
Keywords: روابط ساختاری-فعالیت; Glycosaminoglycan; Chondroitin sulfate; Structure-activity relationships; Protein interactions;
Keywords: روابط ساختاری-فعالیت; LIM domain kinases; Inhibitors; Structure-activity relationships; Rational design; Anticancer; Intra-ocular pressure;
Keywords: روابط ساختاری-فعالیت; Quinoline-4-carboxamide; Esophageal squamous cell cancer; Autophagy; Structure-activity Relationships; Chloroquine;
Keywords: روابط ساختاری-فعالیت; Immune escape; Crystal structures; IDO1 inhibitors; Cancer immunotherapy; KP; kynurenine pathway; Trp; tryptophan; KYN; kynurenine; IDO1; indoleamine 2,3-dioxygenase 1; IDO2; indoleamine 2,3-dioxygenase 2; TDO; tryptophan 2,3-dioxygenase; IFN; interferon;
Keywords: روابط ساختاری-فعالیت; Pharmapolymers; Drug delivery; Market; Clinical trials; Structure-activity relationships;
Keywords: روابط ساختاری-فعالیت; Proton-gated channels; Histamine receptors; Structure-activity relationships; Subunit-specificity;
Keywords: روابط ساختاری-فعالیت; Acoplamiento molecular; Descubrimiento de fármacos; Modelado molecular; Quimioinformática; Relaciones estructura-actividad; Molecular docking; Drug discovery; Molecular modeling; Chemoinformatics; Structure-activity relationships;
Keywords: روابط ساختاری-فعالیت; Fluazaindolizine; Plant parasitic nematodes; Nematicide; Structure-activity relationships;
Keywords: روابط ساختاری-فعالیت; Betulinic acid; Amino acids derivatives; Dipeptide derivatives; Selective cytotoxicity; Structure-activity relationships; Apoptosis;
Keywords: روابط ساختاری-فعالیت; Brassinosteroids; Structure-activity relationships; Agricultural practical usages;
Keywords: روابط ساختاری-فعالیت; Benzenesulfonamides; Carbonic anhydrase IX; hCA IX-Mimic; Structure-activity relationships; X-ray crystallography; Cancer therapy;
Keywords: روابط ساختاری-فعالیت; 5-Nitro-2-aminothiazoles; Type I nitroreductase; Antitrypanosomal agents; Chagas disease; Leishmania; MZSRZQZBRGCXDO-UHFFFAOYSA-N; NTD; Neglected tropical diseases; T. brucei; Trypanosoma brucei; HAT; human African trypanosomiasis; T. cruzi; Trypanosoma
Keywords: روابط ساختاری-فعالیت; Nitrotriazoles; Type I nitroreductase; Chagas disease; HAT disease; Leishmania; NTD; Neglected tropical diseases; T. brucei; Trypanosoma brucei; HAT; human African trypanosomiasis; T. cruzi; Trypanosoma cruzi; Bnz; benznidazole (N-benzyl-2-(2-nitro-1H-i
Keywords: روابط ساختاری-فعالیت; Ceria; Structure-activity relationships; Oxidation; Hydrogenation; Acid-base; Redox
Keywords: روابط ساختاری-فعالیت; Iron chelator; Hydrazone; Oxidative injury; Anticancer; Structure-activity relationships;
Keywords: روابط ساختاری-فعالیت; Structure-based drug discovery; Homology modeling; Ligand docking; Virtual screening; Protein flexibility; Active site water molecules; GPCR; G Protein-coupled receptor; HM; homology modeling; HTD; high-throughput docking; LSHM; Ligand-steered homology mo
Keywords: روابط ساختاری-فعالیت; Structure-activity relationships; Neurological agents; Alzheimer's disease; Carboline; Neuroprotective;
Synthesis of 3-(3-hydroxyphenyl)pyrrolidine dopamine D3 receptor ligands with extended functionality for probing the secondary binding pocket
Keywords: روابط ساختاری-فعالیت; Dopamine receptors; Dopamine D3 receptor selectivity; D3 secondary binding pocket; Homologous series; Structure-activity relationships;
In silico discovery of quinoxaline derivatives as novel LRP5/6-sclerostin interaction inhibitors
Keywords: روابط ساختاری-فعالیت; Wnt/β-catenin signalling pathway; LRP5/6-sclerostin interaction; Structure-activity relationships; Virtual screening; Osteoporosis;
Effect of selected 8-hydroxyquinoline-2-carboxanilides on viability and sulfate metabolism of Desulfovibrio piger
Keywords: روابط ساختاری-فعالیت; Sulfate-reducing bacteria; Dissimilatory sulfate reduction; Inflammatory bowel disease; 8-hydroxyquinolines; Structure-activity relationships;
Cathepsin B inhibitors: Further exploration of the nitroxoline core
Keywords: روابط ساختاری-فعالیت; Abz; 2-aminobenzoyl; AMC; 7-amido-4-methylcoumarin; catB; cathepsin B; DIPEA; N,N-diisopropylethylamine; DMSO; dimethyl sulfoxide; ECM; extracellular matrix; EDC; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide; HATU; 1-[bis(dimethylamino)methylene]-1H-1,2,
Rapid membrane permeabilization of Listeria monocytogenes and Escherichia coli induced by antibacterial prenylated phenolic compounds from legumes
Keywords: روابط ساختاری-فعالیت; Prenylated phenolics; Fabaceae; Antibacterial activity; Membrane permeabilization; Structure-activity relationships;
Design, synthesis and preclinical evaluation of 5-methyl-N4-aryl-furo[2,3-d]pyrimidines as single agents with combination chemotherapy potential
Keywords: روابط ساختاری-فعالیت; RTKs; Receptor tyrosine kinases; VEGF; vascular endothelial growth factor; VEGFR-2; vascular endothelial growth factor receptor-2; PDGFR-β; platelet-derived growth factor receptor-β; EGFR; epidermal growth factor receptor; ATP; adenosine triphosphate; N
Heterocyclic pyrrolizinone and indolizinones derived from natural lactam as potential antifungal agents
Keywords: روابط ساختاری-فعالیت; Pyrrolizinone; Indolizinone; Synthesis; Plant pathogen fungi; Antifungal activities; Structure-activity relationships;
Synthesis and antibacterial activity of C2 or C5 modified and D ring rejiggered canthin-6-one analogues
Keywords: روابط ساختاری-فعالیت; Synthesis; Canthin-6-one analogues; Antibacterial; Structure-activity relationships; Cell membrane; DNA topoisomerases;
Structure-activity relationships of rationally designed AMACR 1A inhibitors
Keywords: روابط ساختاری-فعالیت; α-Methylacyl-CoA racemase (AMACR, P504S); Drug lipophilicity; Enzyme inhibitors; Rational drug design; Structure-activity relationships; AMACR; α-methylacyl-CoA racemase; CDI; carbonyldiimidazole; DAST; (Diethylamino)sulfur trifluoride; DCC; Dicyclohexy
Design, synthesis and investigation of potential anti-inflammatory activity of O-alkyl and O-benzyl hesperetin derivatives
Keywords: روابط ساختاری-فعالیت; Hesperetin derivatives; Synthesis; Anti-inflammatory activity; NF-κB; Structure-activity relationships; Molecular docking;
Design, synthesis, and functional assessment of Cmpd-15 derivatives as negative allosteric modulators for the β2-adrenergic receptor
Keywords: روابط ساختاری-فعالیت; β2-Adrenergic receptor (β2AR); Negative allosteric modulator; Synthesis; Structure-activity relationships; Binding competition assays;
Design, synthesis and biological evaluation of LX2343 derivatives as neuroprotective agents for the treatment of Alzheimer's disease
Keywords: روابط ساختاری-فعالیت; LX2343 derivatives; Neuroprotective agents; Alzheimer's disease; Structural modifications; Structure-activity relationships;
Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors
Keywords: روابط ساختاری-فعالیت; MAP; mitogen-activated protein; TNF-α; tumor necrosis factor-α; IL-1β; interleukin-1β; RA; rheumatoid arthritis; IBD; inflammatory bowel disease; COPD; chronic obstructive pulmonary disease; LPS; lipopolysaccharide; DMPK; drug metabolism and pharmacok
Design and synthesis of aminoester heterodimers containing flavone or chromone moieties as modulators of P-glycoprotein-based multidrug resistance (MDR)
Keywords: روابط ساختاری-فعالیت; P-gp; P-glycoprotein; SAR; Structure-activity relationships; DOX; Doxorubicin; EDCI; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimmide hydrochloride; HOBt; 1-Hydroxybenzotriazole hydrate; DMAP; 4-dimethylaminopyridine; P-gp modulators; MDR reversers; Heterod
Anti-hepatitis B virus effects of the traditional Chinese herb Artemisia capillaris and its active enynes
Keywords: روابط ساختاری-فعالیت; CC; column chromatography; ECD; electronic circular dichroism; HBeAg; HBV e antigen; HBsAg; HBV surface antigen; HBV; hepatitis B virus; HPLC; high performance liquid chromatography; MPLC; medium pressure liquid chromatography; MS; mass spectrum; NMR; nuc
Design, synthesis and in vitro anti-Zika virus evaluation of novel Sinefungin derivatives
Keywords: روابط ساختاری-فعالیت; Anti-Zika virus; Sinefungin; EPZ004777; Structure-activity relationships; Methyltransferases;
Impact of intracellular ionic strength on dimer binding in the NF-kB Inducing kinase
Keywords: روابط ساختاری-فعالیت; NIK; MAP3K14; Serine-threonine kinase; NF-κB; Signal transduction; Protein-protein interactions; Ionic strength; Structure-activity relationships; Conformational-activity relationships; Homoligomers; Protein dimers; Molecular dynamics simulation;
Conjugates of 17-substituted testosterone and epitestosterone with pyropheophorbide a differing in the length of linkers
Keywords: روابط ساختاری-فعالیت; Steroid conjugates; Chemical synthesis; Tetrapyrrolic macrocycles; Molecular models; Interaction with prostate carcinoma cells; Structure-activity relationships;
Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors
Keywords: روابط ساختاری-فعالیت; Quinoxaline; Pim-1; Kinase inhibitor; Anticancer targeted therapy; IC50; 50% inhibitory concentration; SAR; structure-activity relationships; Pim; proviral integration site of Moloney murine leukemia virus; CML; chronic myeloid leukemia; DYRK1A; dual spec
The role of polycyclic frameworks in modulating P2X7 receptor function
Keywords: روابط ساختاری-فعالیت; P2X7; Polycyclic; Structure-activity relationships; Isoquinoline; Cyanoguanidine;
Synthesis and biological evaluation of α-santonin derivatives as anti-hepatoma agents
Keywords: روابط ساختاری-فعالیت; α-Santonin-derived analogues; α-Methylene-γ-lactone; Anti-hepatoma; Structure-activity relationships; Apoptotic;
Synthesis and anti-mitotic activity of 2,4- or 2,6-disubstituted- and 2,4,6-trisubstituted-2H-pyrazolo[4,3-c]pyridines
Keywords: روابط ساختاری-فعالیت; Apoptosis; G2/M cell cycle arrest; Pyrazole; Structure-activity relationships;
New insights in the structure-activity relationships of 2-phenylamino-substituted benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors
Keywords: روابط ساختاری-فعالیت; Benzothiopyranopyrimidines; KDR kinase; Antiproliferative activity; Kinase inhibitors; A-431; epidermoid carcinoma cell line; DMEDA; N,Nâ²-dimethylethylendiamine; HeLa; cervix adenocarcinoma cell line; h; human; HUVEC; human umbilical vein endothelial ce
Comparison of [17(20)E]-21-Norpregnene oxazolinyl and benzoxazolyl derivatives as inhibitors of CYP17A1 activity and prostate carcinoma cells growth
Keywords: روابط ساختاری-فعالیت; [17(20)E]-21-norpregnene derivatives; CYP17A1 inhibitors; Molecular dynamics; PC-3 and LNCaP prostate carcinoma cells; Structure-activity relationships;
Synthesis and biological evaluation of indole-based UC-112 analogs as potent and selective survivin inhibitors
Keywords: روابط ساختاری-فعالیت; Selective survivin inhibitors; Structure-activity relationships; Antiproliferative activities; P-glycoprotein overexpression; ABC; ATP-binding cassette; IAP; inhibitor of apoptosis proteins; P-gp; P-glycoprotein; RI; resistance index; SAR; structure-activ
Investigating the structure-activity relationships of N'-[(5-nitrofuran-2-yl) methylene] substituted hydrazides against Trypanosoma cruzi to design novel active compounds
Keywords: روابط ساختاری-فعالیت; Nitrofurans; Trypanosoma cruzi; Amastigote intracellular forms; Exploratory data analysis; Chemometric approaches; Chagas disease; Structure-activity relationships;
Design, synthesis and biological evaluation of novel xanthine oxidase inhibitors bearing a 2-arylbenzo[b]furan scaffold
Keywords: روابط ساختاری-فعالیت; 2-Arylbenzo[b]furan derivatives; Xanthine oxidase inhibitor; Antioxidant; Molecular docking; XO; xanthine oxidase; ROS; reactive oxygen species; SARs; structure-activity relationships; DPPH; 1,1-diphenyl-2-picrylhydrazyl; RMSD; root mean square deviation;
Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation
Keywords: روابط ساختاری-فعالیت; Docking studies; NMDA receptor; GluN2B antagonists; Ifenprodil binding site; Affinity; Selectivity; Cytoprotective activity; Structure-affinity relationships; Structure-activity relationships;
Design, synthesis, molecular modelling and in vitro cytotoxicity analysis of novel carbamate derivatives as inhibitors of Monoacylglycerol lipase
Keywords: روابط ساختاری-فعالیت; Monoacylglycerol lipase; Carbamate; Structure-activity relationships; Cytotoxicity; Anti-proliferative;
Design, synthesis and biological evaluation of a novel tubulin inhibitor 7a3 targeting the colchicine binding site
Keywords: روابط ساختاری-فعالیت; Tubulin inhibitor; Colchicine binding site; Combretastatin A-4; Pyrazole analogue; Anti-tumour; Co-crystal structure; ABC; ATP-binding cassette; P-gp; P-glycoprotein; MRP; multidrug resistant proteins; CA-4; combretastatin A-4; SARs; structure-activity re