Keywords: گیرنده پیوند هیدروژن; Allosteric inhibition; PEF(S); Calpain-1 inhibitors; Structure-based design; Docking; PEF(S); penta-EF hand calcium binding domain; TNS; p-toluidinylnaphthalene-6-sulfonate; CysPc; calpain-like protease domain; kDa; kilo Dalton; SAR; structure activity re
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Keywords: گیرنده پیوند هیدروژن; DES; Deep eutectic solvents; TPC; total phenolic content; HPLC; high pressure liquid chromatography; UV; ultraviolet visible; FT-IR; Fourier-transform infrared spectroscopy; EG; ethylene glycol; Gly; glycerol; [Ch]Cl; choline chloride; SLE; solidliquid ex
Keywords: گیرنده پیوند هیدروژن; AICA; 5-aminoimidazole-4-carboxamide; AICARFTase; 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase; CA; carbonic anhydrase; CBE; CI-HCO3â exchanger; CHO; Chinese hamster ovary; FR; folate receptor; GARFTase; β-glycinamide ribonucleotide
Keywords: گیرنده پیوند هیدروژن; DSC; differential scanning calorimetry; EMC; equilibrium moisture content; Exp; experimental; FD THCl; Freeze-dried thiamine chloride hydrochloride; FTIR; Fourier transform infrared spectroscopy; GEL; gelatin; GG; guar gum; HBA; hydrogen bond acceptor; HB
Keywords: گیرنده پیوند هیدروژن; Natural deep eutectic solvents; Thermophysical properties; Rheology; Conductivity; Hydrogen bond donor; Hydrogen bond acceptor;
Keywords: گیرنده پیوند هیدروژن; ADA; Adenosine Deaminase; MD; molecular dynamics; DEG; Database of Essential Genes; ROF; Lipinski's rule of five; MW; molecular weight; clogP; Octanol-water partition co-efficient; HBD; hydrogen bond donor; HBA; hydrogen bond acceptor; NVT; Number of part
Keywords: گیرنده پیوند هیدروژن; ADME; absorption/distribution/metabolism/excretion; BBB; blood-brain barrier; CD3OD; tetradeuteromethanol; CDCl3; deuterochloroform; CH2Cl2; dichloromethane; C log D; distribution coefficient; C log P; calculated partition coefficient; CNS; central
Keywords: گیرنده پیوند هیدروژن; Clog P; calculated log P; DNP; dictionary of natural products; GBIF; global biodiversity information facility; HBA; hydrogen bond acceptor; HBD; hydrogen bond donor; log D; distribution coefficient; log P; partition coefficient; MWT; molecular weight;
Keywords: گیرنده پیوند هیدروژن; AlPOs; alumino phosphates; AIMD; ab initio molecular dynamics; HMF; 5-hydroxymethylfurfural; SILCA; supported ionic liquid catalyst; HBA; hydrogen bond acceptor; HBD; hydrogen bond donor; Binary mixtures; Physico-chemical properties; Microporous materials
Keywords: گیرنده پیوند هیدروژن; 3-Azabicyclo[3.3.1]nonane; 3-Azabicyclo[3.3.0]octane; 3,7-Diazabicyclo[3.3.1]nonane; 3,7-Diazabicyclo[3.3.0]octane; Hydrogen bond acceptor; Nicotinic acetylcholine receptor; Novel object recognition; Selective nAChR agonist;
Incorporation of 2-hydroxypropyl β-cyclodextrin in a biomolecule-based low-transition temperature mixture (LTTM) boosts efficiency of polyphenol extraction from Moringa oleifera Lam leaves
Keywords: گیرنده پیوند هیدروژن; AAE; ascorbic acid equivalents; CD; 2-hydroxypropyl β-cyclodextrin; DPPH; 2,2-diphenyl-1-picrylhydrazyl radical; GAE; gallic acid equivalents; HBA; hydrogen bond acceptor; HBD; hydrogen bond donor; LTTM; low-transition temperature mixture; MoL; M. oleife
Improving β-glucosidase biocatalysis with deep eutectic solvents based on choline chloride
Keywords: گیرنده پیوند هیدروژن; DESs; deep eutectic solvents; pNPG; p-nitrophenyl-β-glucopyranoside; pNP; p-nitrophenol; [EMIM][BF4]; 1-ethyl-3-methylimidazolium tetrafluoroborate; ILs; ionic liquids; HBD; hydrogen bond donor; HBA; hydrogen bond acceptor; dimethyl sulfoxide; DMSO; ChCl
Optimised extraction of antioxidant polyphenols from Satureja thymbra using newly designed glycerol-based natural low-transition temperature mixtures (LTTMs)
Keywords: گیرنده پیوند هیدروژن; AAE; ascorbic acid equivalents; DPPH; 2,2-diphenyl-1-picrylhydrazyl radical; GAE; gallic acid equivalents; HBA; hydrogen bond acceptor; HBD; hydrogen bond donor; LTTMs; low-transition temperature mixtures; TPTZ; 2,4,6-tripyridyl-s-triazine; Antioxidants;
Discovery of Novel and Potent Stearoyl Coenzyme A Desaturase 1 (SCD1) Inhibitors as Anticancer Agents
Keywords: گیرنده پیوند هیدروژن; Ac; acetyl; ADME; absorption, distribution, metabolism, and excretion; aq.; aqueous; AUC; total area under the blood concentration-time curve; bid; bis in die (twice per day); Boc; (tert-butoxy)carbonyl; Bu; butyl; Bz; benzoyl; cLogP; calculate logarith
Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics
Keywords: گیرنده پیوند هیدروژن; GTP; Guanosine triphosphate; RMSD; Root mean square deviation; RCSB; Research Collaboratory for Structural Bioinformatics; HBA; Hydrogen bond acceptor; Anthelmintics; β-tubulin; Colchicine; Structure-based model; Pharmacophore; Docking; Nematode;
Discovery of novel 5-oxa-2,6-diazaspiro[3.4]oct-6-ene derivatives as potent, selective, and orally available somatostatin receptor subtype 5 (SSTR5) antagonists for treatment of type 2 diabetes mellitus
Keywords: گیرنده پیوند هیدروژن; SSTR5; somatostatin receptor subtype 5; OGTT; oral glucose tolerance test; hERG; human ether-a-go-go related gene; DM; diabetes mellitus; HFD; high-fat diet; NCS; N-chlorosuccinimide; WSC; 1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide hydrochloride; HOB
Modulating the strength of hydrogen bond acceptors to achieve low Caco2 efflux for oral bioavailability of PARP inhibitors blocking centrosome clustering
Keywords: گیرنده پیوند هیدروژن; Bioavailability; Caco2; P-gp; Efflux; Hydrogen bond acceptor;
Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR) γ partial agonists
Keywords: گیرنده پیوند هیدروژن; Method comparison; Docking; Pharmacophore modeling; Shape-based modeling; 2D-similarity based search; Peroxisome proliferator-activated gamma partial agonists; A; anion; Acc; accuracy; Ar; aromatic feature; AUC; area under the curve; C; cation; DMEM; Dulb
Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists III: The role of a hydrogen-bond acceptor in long receptor residence times
Keywords: گیرنده پیوند هیدروژن; CRTh2 antagonist; Long residence time; Hydrogen bond acceptor; Structure-activity relationship (SAR); Structure-kinetic relationship (SKR);
Screening and identification of neuroprotective compounds relevant to Alzheimer׳s disease from medicinal plants of S. Tomé e PrÃncipe
Keywords: گیرنده پیوند هیدروژن; Aβ; amyloid beta peptide; AD; Alzheimer׳s disease; APP; amyloid precursor protein; ATP; adenosine triphosphate; BBB; blood-brain barrier; CLogP; lipophilicity; CNS; Central nervous system; DMEM; Dulbecco׳s modified Eagle׳s medium; ESI; Electrospray
Pharmacophore based virtual screening, molecular docking and biological evaluation to identify novel PDE5 inhibitors with vasodilatory activity
Keywords: گیرنده پیوند هیدروژن; Phosphodiesterase-5; Cyclic guanosine monophosphate; Discovery studio; Hydrogen bond acceptor; Cyclic adenosine monophosphate;
Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction
Keywords: گیرنده پیوند هیدروژن; IN; HIV-1 integrase; LEDGF/p75; lens epithelium-derived growth factor/p75; HBD; hydrogen bond donor; HBA; hydrogen bond acceptor; IC50; 50% inhibitory concentration; EC50; 50% effective concentration; CC50; 50% cytotoxic concentration; CCID50; cell cultur
The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor ligands. Part 2: Carboxamide derivatives with different spacer motifs
Keywords: گیرنده پیوند هیدروژن; BBB; blood-brain barrier; CD3OD; tetradeuteromethanol; CDCl3; deuterochloroform; CH2Cl2; dichloromethane; CNS; central nervous system; D2O; deuterium oxide; DCC; N,Nâ²-dicyclohexylcarbodiimide; DMAP; 4-(dimethylamino)pyridine; DME; 1,2-dimethoxyethane;
Dual functions of N,N-dimethylethanolamnium-based ionic liquids for the Knoevenagel reactions at room temperature
Keywords: گیرنده پیوند هیدروژن; Knoevenagel reaction; Ionic liquid; Hydrogen bond donor; Hydrogen bond acceptor; Catalytic activity
Inhibitory effect of 10 natural phenolic compounds on Fusarium verticillioides. A structure-property-activity relationship study
Keywords: گیرنده پیوند هیدروژن; Fusarium verticillioides; Natural phenolic compounds; QSAR; Lipophilicity; Molar refractivity; Saturated area; FW; formule weight; MR; molar refractivity; MV; molar volumen; ST; surface tension; P; polarizability; log P; logarithm of the octanol/water pa
Potential virtual lead identification in the discovery of renin inhibitors: Application of ligand and structure-based pharmacophore modeling approaches
Keywords: گیرنده پیوند هیدروژن; Ligand and structure-based pharmacophore; Renin; Blood pressure; Database screening; Molecular docking; RAS; renin-angiotensinogen system; ACE; angiotensin-converting enzyme; PDB; protein data bank; DS; discovery studio; Pharm-A; pharmacophore A; HA; hydr
Directing/protecting groups mediate highly regioselective glycosylation of monoprotected acceptors
Keywords: گیرنده پیوند هیدروژن; Regioselective glycosylation; Directing protecting group; Hydrogen bond acceptor; Disaccharide;
Synthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for the α1-adrenoceptors
Keywords: گیرنده پیوند هیدروژن; 5-HT1A; 5-serotonin1A; ARs; adrenergic receptors; α1-ARs; α1-adrenergic receptors; GPCRs; G-protein coupled receptors; HBA; hydrogen bond acceptor; MLPInS; molecular lipophilicity potential interaction score; RN5; 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl
Binary mixed micelles of chiral sodium undecenyl leucinate and achiral sodium undecenyl sulfate: I. Characterization and application as pseudostationary phases in micellar electrokinetic chromatography
Keywords: گیرنده پیوند هیدروژن; C20; CMC; γCMC; Hydrogen bond acceptor; Hydrogen bond donator; Linear solvation energy relationships; Micellar electrokinetic chromatography; Mixed surfactant systems; Non-hydrogen bond donator; Partial specific volume; Pseudostationary phase; Sodium 10-u