도킹에 관한 연구
도킹 연구는 일반적으로 분자 모델링 및 계산 시뮬레이션을 말합니다.이 경우, 이것은 합성된 화합물이 특정 생체표적(예: 염증에 관여하는 효소나 수용체)과 어떻게 상호작용하는지 예측하기 위해 컴퓨터 프로그램과 알고리즘을 사용하는 것을 의미할 수 있다.
화학 원료를 구입해야하는 경우 요청 정보를 제출하여최신견적을받으십시오.
도킹에 관한 연구의 학술 논문
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Synthesis, evaluation and docking studies on 3-alkoxy-4-methanesulfonamido acetophenone derivatives as non ulcerogenic anti-inflammatory agents
화학 물질
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1-(4-amino-3-n-butoxyphenyl)ethanone
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Conformational analyses of thiirane-based gelatinase inhibitors
화학 물질
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2-bromo-1,3-dimethyl-5-phenoxybenzene
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Certain 4-iminoflavones derivatives: Synthesis, docking studies, antiasthmatic and antimicrobial agents
화학 물질
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(E)-1-(2-hydroxy-4-methoxyphenyl)-3-p-tolylprop-2-en-1-one
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Design, synthesis and identification of novel substituted 2-amino thiazole analogues as potential anti-inflammatory agents targeting 5-lipoxygenase
화학 물질
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Benzamide, N-[(diphenylamino)thioxomethyl]-4-nitro-
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Synthesis, biological evaluation, and docking studies of gigantol analogs as calmodulin inhibitors
화학 물질
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4-[2-(3,5-dimethoxyphenyl)ethyl]-1-ethoxy-2-methoxybenzene
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Novel diphenyl ethers: Design, docking studies, synthesis and inhibition of enoyl ACP reductase of Plasmodium falciparum and Escherichia coli
화학 물질
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3-hydroxy-4-phenoxy-benzoic acid
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Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling
화학 물질
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5-chloro-N4-methyl-N2-phenylpyrimidine-2,4-diamine
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A search for dual action HIV-1 reverse transcriptase, bacterial RNA polymerase inhibitors
화학 물질
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4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
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Synthesis and evaluation of N-acetyl-l-tyrosine based compounds as PPARα selective activators
화학 물질
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N-ACETYL-L-TYROSINE ETHYL ESTER
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1H-indole derivatives as calcium antagonists
화학 물질
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[3-(1-Hydroxy-propyl)-2-methyl-5-nitro-indol-1-yl]-phenyl-methanone
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2-acetylphenol analogs as potent reversible monoamine oxidase inhibitors
화학 물질
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1-(4-(4-cyanobenzyloxy)-2-hydroxyphenyl)ethanone
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Synthesis and bioactivity of 3,5-dimethylpyrazole derivatives as potential PDE4 inhibitors
화학 물질
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5-(2,4-difluorophenyl)-2-furoyl chloride
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Synthesis, biological evaluation, and molecular modeling of nitrile-containing compounds: Exploring multiple activities as anti-Alzheimer agents
화학 물질
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2-[(3,4-Dimethyl-phenylamino)-methylene]-malononitrile
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Imidazo[4,5-c]quinolines as inhibitors of the PI3K/PKB-pathway
화학 물질
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2-(4-아미노페닐)-2-메틸프로판니트릴
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Synthesis and Protein-Tyrosine Kinase Inhibitory Activities of Flavanoid Analogues
화학 물질
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4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-
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Synthesis and estrogen receptor affinity of 2,3-diarylindoles
화학 물질
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1H-Indol-5-ol, 2,3-diphenyl-
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The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: A structural analysis of the binding interactions of Gleevec , Nexavar, and BIRB-796
화학 물질
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N-methyl-4-(4-(4-((4-methylpiperazin-1-yl)methyl)-benzamido)phenoxy)picolinamide
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Synthesis and pharmacological properties of pyrazolotriazolopyrimidine derivatives
화학 물질
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1H-Pyrazole-4-carboxylic acid, 3-[[(phenylamino)thioxomethyl]amino]-, ethyl ester
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Synthesis of imidazothiazole-chalcone derivatives as anticancer and apoptosis inducing agents
화학 물질
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(E)-3-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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Synthesis and antimalarial evaluation of 1, 3, 5-trisubstituted pyrazolines
화학 물질
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3-(4-ethoxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)propenone
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Synthesis and evaluation of novel phenoxypropanolamine derivatives containing acetanilides as potent and selective β3-adrenergic receptor agonists
화학 물질
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(S)-4'-(2-{[2-hydroxy-3-(4-methylsulfonamidophenoxy)-propyl]amino}ethyl)-2-(2-pyridyl)acetanilide hydrochloride
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Antimicrobial studies of 2,4-dichloro-5-fluorophenyl containing oxadiazoles
화학 물질
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C16H10Cl3FN2O2
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Discovery of Substituted 1H-Pyrazolo[3,4-b]pyridine Derivatives as Potent and Selective FGFR Kinase Inhibitors
화학 물질
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2-methoxy-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride
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Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors
화학 물질
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2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
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Structure-activity relationship studies on benzofuran analogs of propafenone-type modulators of tumor cell multidrug resistance
화학 물질
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3-(2-phenylethyl)-N-propyl-β-(2-tetrahydropyranyloxy)-2-benzofuranethanamine
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Anti-tumor activity of
anew series of benzoxazepine derivatives in breast cancer화학 물질
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methyl (S)-2-(N-(2-(benzyloxy)-4-methoxybenzyl)-4-methylphenylsulfonamido)-3-(4-(benzyloxy)phenyl)propanoate
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Novel pyrrolyl 2-aminopyridines as potent and selective human β-secretase (BACE1) inhibitors
화학 물질
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2- 피리딘 메탄 아민, 6- 아미노 - (9CI)
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A novel class of nonpeptidic biaryl inhibitors of human cathepsin K
화학 물질
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1-(4-BROMO-PHENYL)-4-METHYL-PIPERAZINE
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Design, synthesis and evaluation of novel N-phenylbutanamide derivatives as KCNQ openers for the treatment of epilepsy
화학 물질
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티에노[2,3-c]피리딘, 4,5,6,7-테트라하이드로-2-메틸-(9CI)
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Synthesis and pharmacological evaluation of 5-dialkylaminomethyl-2-amino-2-oxazolines as H1-antagonists
화학 물질
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1-chloro-3-(4-benzylpiperidin-1-yl)propan-2-ol
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2-(4-Chlorobenzyl)-6-arylimidazo[2,1-b][1,3,4]thiadiazoles: Synthesis, cytotoxic activity and mechanism of action
화학 물질
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2-(4-chlorobenzyl)-6-(4'-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole
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Synthesis and QSAR of substituted 3-hydroxyanthranilic acid derivatives as inhibitors of 3-hydroxyanthranilic acid dioxygenase (3-HAO)
화학 물질
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4-bromo-5-ethoxy-3-hydroxybenzoic acid
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Flavones. 3. Synthesis, biological activities, and conformational analysis of isoflavone derivatives and related compounds
화학 물질
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4H-1-Benzopyran-4-one, 7-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-phenyl-2-(phenylmethyl )-, hydrochloride
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Novel synthetic 2-amino-10-(3,5-dimethoxy)benzyl-9(10H)-acridinone derivatives as potent DNA-binding antiproliferative agents
화학 물질
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N-(10-(3,5-dimethoxybenzyl)-9,10-dihydro-9-oxoacridin-2-yl)-2-aminoacetamide hydrochloride
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Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor
화학 물질
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1-(4-(bromomethyl)phenyl)-1H-pyrrole-2,5-dione
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Synthesis and antihypertensive activity of novel 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones
화학 물질
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3-amino-2-benzylaminoquinazolin-4(3H)-one
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New antiprotozoal agents: Their synthesis and biological evaluations
화학 물질
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N-{3-benzyl-2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]quinolin-6-yl}-(3-trifluoromethylphenyl)sulfonamide
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New series of morpholine and 1,4-oxazepane derivatives as dopamine D 4 receptor ligands: Synthesis and 3D-QSAR model
화학 물질
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Morpholine, 2-(chloromethyl)-4-[(4-chlorophenyl)methyl]-
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Synthesis and evaluation of acyl protein thioesterase 1 (APT1) inhibitors
화학 물질
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Butanoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, methyl ester, (2S)-
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Synthesis and evaluation of novel fluorinated pyrazolo-1,2,3-triazole hybrids as antimycobacterial agents
화학 물질
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2,6-dimethyl-N-(prop-2-yn-1-yl)aniline
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Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists
화학 물질
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(E)-N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(4-iodophenyl)acrylamide
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Synthesis and biological activity of peptide derivatives of iodoquinazolinones/nitroimidazoles
화학 물질
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2-hydroxy-5-(6-iodo-2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)benzoyltyrosine
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