Keywords: سطح زمین قطبی توپولوژیک; AB-MECA; (N6-(4-aminobenzyl)-N-methylcarboxamidoadenosine); AC; adenylate cyclase; AR; adenosine receptor; CHO; Chinese Hamster Ovary; DPCPX; 8-cyclopentyl-1,3-dipropylxanthine; MV; molecular volume; NECA; 5â²-(N-ethylcarboxamido)adenosine; TPSA; Topolog
مقالات ISI سطح زمین قطبی توپولوژیک (ترجمه نشده)
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Keywords: سطح زمین قطبی توپولوژیک; 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
Keywords: سطح زمین قطبی توپولوژیک; AD; Alzheimer's disease; NFT; neurofibrillary tangles; ChE; cholinesterase; NMDA; N-methyl-D-aspartate; TCM; Traditional Chinese Medicine; MOA; mechanisms of action; TCMSP; traditional Chinese medicine systems pharmacology; TCMID; traditional Chinese medi
Keywords: سطح زمین قطبی توپولوژیک; Curcumin (Pubchem CID:969516); Curcumin; Lipophilic drugs; Nanoparticles; Drug delivery; cur-intra; curcumin loaded intralipid; cur-LDL; curcumin loaded LDL; cur-lip; curcumin loaded liposomes; cur-mic; curcumin loaded polymeric micelles; EPR; enhanced pe
Keywords: سطح زمین قطبی توپولوژیک; 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: سطح زمین قطبی توپولوژیک; ATP; adenosine triphosphate; ADP; adenosine diphosphate; Cer; ceramide; ERK-1/2; extra-cellular signal-regulated kinase 1/2; HDAC; histone deacetylase; LDH; lactate dehydrogenase; S1P; sphingosine-1-phosphate; SAR; structure-activity relationship; Sph;
1,3,5-triazaspiro[5.5]undeca-2,4-dienes as selective Mycobacterium tuberculosis dihydrofolate reductase inhibitors with potent whole cell activity
Keywords: سطح زمین قطبی توپولوژیک; Dihydrofolate reductase (DHFR); Antimycobacterial agent; Tuberculosis (TB); 1,3,5-triazaspiro[5.5]undeca-2,4-diene; DHFR; dihydrofolate reductase; DMPK; drug metabolism and pharmacokinetics; FRLM; female rat liver microsomes; HBA; hydrogen bond acceptors;
Identification of small molecule activators for ErbB 4 receptor to enhance oligodendrocyte regeneration by in silico approach
Keywords: سطح زمین قطبی توپولوژیک; ADMET; adsorption distribution metabolism excretion toxicity; BBB; blood brain barrier; BS; bioavailability score; CNS; central nervous system; CT; C-terminal tail; ECD; extracellular domain; EGF; epidermal growth factor; ESOL; estimated solubility; EV; E
Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine to improve pharmacokinetic profile
Keywords: سطح زمین قطبی توپولوژیک; BA; bioavailability; RAAS; renin-angiotensin-aldosterone system; BP; blood pressure; Ang I; angiotensin I; ACE; Angiotensin-converting enzyme; Ang II; angiotensin II; AT1; Ang II type I receptor; DRI; direct renin inhibitor; TPSA; topological polar surfac
FilTer BaSe: A web accessible chemical database for small compound libraries
Keywords: سطح زمین قطبی توپولوژیک; ADMET; absorption distribution metabolism excretion and toxicity; MW; molecular weight; tPSA; topological polar surface area; PAINS; pan assay interference compounds; QASR; quantitative structure-activity relationship; Compound libraries; FilTer BaSe; V
Development of inhibitors of receptor protein tyrosine phosphatase β/ζ (PTPRZ1) as candidates for CNS disorders
Keywords: سطح زمین قطبی توپولوژیک; PTPRZ1; CNS disorders; Drug addiction; Molecular dynamics; Synthesis; EDCI; 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide; HOBt; hydroxybenzotriazole; MCPBA; meta-chloroperbenzoic acid; MK; Midkine; PAMPA-BBB; membrane permeability assay for the blood-bra
New hydrazine and hydrazide quinoxaline 1,4-di-N-oxide derivatives: In silico ADMET, antiplasmodial and antileishmanial activity
Keywords: سطح زمین قطبی توپولوژیک; ACTs; artemisinin-based combination therapies; QdNO; quinoxaline 1,4-di-N-oxide; SAR; structure-activity relationship; VL; virtual library; SI; selectivity index; TPSA; topological polar surface area; %ABS; human intestinal absorption; Malaria; Leishmania
Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease
Keywords: سطح زمین قطبی توپولوژیک; AD; Alzheimer's disease; AChEIs; acetylcholinesterase inhibitors; NMDA; N-methyl-d-aspartate; Aβ; β-amyloid; Ï; tau protein; ACh; acetylcholine; MTDLs; multi-target-directed ligands; MAO-B; monoamine oxidase B; MAO-A; monoamine oxidase A; BuChE; buty
Highly potent and selective NaV1.7 inhibitors for use as intravenous agents and chemical probes
Keywords: سطح زمین قطبی توپولوژیک; ADME; absorption, distribution, metabolism and excretion; Clint; intrinsic clearance; Clp; plasma clearance; Clu; unbound clearance; DCM; dichloromethane; DHEP; dog hepatocytes; DLM; dog liver microsomes; DMAc; dimethylacetamide; DMF; dimethylformamide; D
Diverse amide analogs of sulindac for cancer treatment and prevention
Keywords: سطح زمین قطبی توپولوژیک; NSAID; non-steroidal anti-inflammatory drug; COX; cyclooxygenase; SSA; sulindac sulfide amide; SAR; structure-activity relationship; AA; amino acid; ALL; acute lymphoblastic leukemia; CPC; choroid plexus carcinoma; TPSA; topological polar surface area; Li
Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability
Keywords: سطح زمین قطبی توپولوژیک; In silico prediction; Dermal absorption; Modelling; Bioavailability; Risk assessment; Cosmetic ingredient; Physicochemical properties; Safety evaluation; A; daily amount of product exposed to per kg body weight; CDK; Chemistry Development Kit; DA; dermal
Efficient access to sp3-rich tricyclic amine scaffolds through Diels-Alder reactions of azide-containing silyloxydienes
Keywords: سطح زمین قطبی توپولوژیک; Parallel synthesis; Diels-Alder cycloaddition; Polycyclic heterocycles; PTSA; para-toluenesulfonic acid; NP; natural product; Fsp3; fraction sp3; HBD; hydrogen bond donors; HBA; hydrogen bond acceptors; tPSA; topological polar surface area; rotB; rotata
Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2
Keywords: سطح زمین قطبی توپولوژیک; 4-Phenylpyrimidine-2(1H)-thiones; Inhibition of cyclooxygenases; BCS; biopharmaceutics classification system; CH3OH; methanol; COX; cyclooxy-genase; DMSO; dimethylsulfoxide; EDTA; ethylenediaminetetraacetic acid; EIA; enzyme immuno assay; ELISA; enzyme li
Development of tag-free photoprobes for studies aimed at identifying the target of novel Group A Streptococcus antivirulence agents
Keywords: سطح زمین قطبی توپولوژیک; SK; streptokinase; GAS; Group A Streptococcus; HTS; high-throughput screen; SAR; structure-activity relationship; TPSA; topological polar surface area; c Log P; logarithm of the calculated octanol-water partition coefficient; LDA; lithium diisopropy
Screening and identification of neuroprotective compounds relevant to Alzheimer׳s disease from medicinal plants of S. Tomé e PrÃncipe
Keywords: سطح زمین قطبی توپولوژیک; 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
Synthesis and in silico drug likeness evaluation of N,5-disubstituted-1,3-thiazolidine-2,4-dione analogues
Keywords: سطح زمین قطبی توپولوژیک; Thiazolidine-2,4-dione; Knoevenagel condensation; Dean-Stark apparatus; Topological polar surface area;
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: سطح زمین قطبی توپولوژیک; 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;
Towards rational design of cannabinoid receptor 1 (CB1) antagonists for peripheral selectivity
Keywords: سطح زمین قطبی توپولوژیک; CB1; Peripheral; Antagonist; Cannabinoid; Topological polar surface area