- Virtual screening studies on HIV-1 reverse transcriptase inhibitors to design potent leads
[作者:Vadivelan, S; Deeksha, TN; Arun, S; Machiraju, PK; Gundla, R; Sinha, BN; Jagarlapudi, SARP,期刊:European Journal of Medicinal Chemistry, 页码:851-859 , 文章类型: Article,,卷期:2011年46-3]
- The purpose of this study is to identify novel and potent inhibitors against HIV-1 reverse transcriptase (RT). The crystal structure of the most active ligand was converted into a feature-shaped query. This query was use...
- An application of two MIFs-based tools (Volsurf plus and Pentacle) to binary QSAR: The case of a palinurin-related data set of non-ATP competitive Glycogen Synthase Kinase 3 beta (GSK-3 beta) inhibitors
[作者:Ermondi, G; Caron, G; Pintos, IG; Gerbaldo, M; Perez, M; Perez, DI; Gandara, Z; Martinez, A; Gomez, G; Fall, Y,期刊:European Journal of Medicinal Chemistry, 页码:860-869 , 文章类型: Article,,卷期:2011年46-3]
- VolSurf+ and GRIND descriptors extract the information present in MIFs calculated by GRID: the first are simpler to interpret and generally applied to ADME-Tox topics, whereas the latter are more sophisticated and thus m...
- Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2
[作者:Golub, AG; Bdzhola, VG; Briukhovetska, NV; Balanda, AO; Kukharenko, OP; Kotey, IM; Ostrynska, OV; Yarmoluk, SM,期刊:European Journal of Medicinal Chemistry, 页码:870-876 , 文章类型: Article,,卷期:2011年46-3]
- A novel series of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids has been synthesized and tested in vitro towards human protein kinase CK2. It was revealed that the most active compounds inhibiting CK2 are...
- A QSAR study using MTD method and Dragon descriptors for a series of selective ligands of alpha C-2 adrenoceptor
[作者:Borota, A; Mracec, M; Gruia, A; Rad-Curpan, R; Ostopovici-Halip, L; Mracec, M,期刊:European Journal of Medicinal Chemistry, 页码:877-884 , 文章类型: Article,,卷期:2011年46-3]
- A QSAR (quantitative structure activity relationship) analysis of the binding affinities for a series of 43 quinoline derivatives active against the alpha2C adrenergic receptor was performed. Multiple linear regressions ...
- Protein-based alignment in 3D-QSAR of FBPase inhibitors
[作者:Yi, P; Di, YT; Liu, W; Hao, XJ; Ming, Y; Huang, DS; Yang, J; Yi, ZZ; Li, ZJ; Yang, RD; Zhang, JC,期刊:European Journal of Medicinal Chemistry, 页码:885-892 , 文章类型: Article,,卷期:2011年46-3]
- Three-dimensional quantitative structure activity relationship (3D-QSAR) studies were performed on Frusectose-1, 6-bisphosphatase (FBPase) inhibitors, based on molecular docking obtained by using GOLD and comparative mol...
- Anti-tubercular agents. Part 6: Synthesis and antimycobacterial activity of novel arylsulfonamido conjugated oxazolidinones
[作者:Kamal, A; Shetti, RVCRNC; Azeeza, S; Swapna, P; Khan, MNA; Khan, IA; Sharma, S; Abdullah, ST,期刊:European Journal of Medicinal Chemistry, 页码:893-900 , 文章类型: Article,,卷期:2011年46-3]
- As a part of investigation of new anti-tubercular agents in this laboratory, herein we describe the synthesis of a new class of arylsulfonamido conjugated oxazolidinones. The in vitro activity of these conjugated (6a-f, ...
- Synthesis and evaluation of aroylthiourea derivatives of 4-beta-amino-4 '-O-demethyl-4-desoxypodophyllotoxin as novel topoisomerase II inhibitors
[作者:Zhao, Y; Ge, CW; Wu, ZH; Wang, CN; Fang, JH; Zhu, L,期刊:European Journal of Medicinal Chemistry, 页码:901-906 , 文章类型: Article,,卷期:2011年46-3]
- A novel series of aroylthiourea derivatives of 4-beta-amino-4'-O-demethyl-4-desoxy- podophyllotoxin were synthesized. Their cytotoxicities against three cancer cell lines were investigated by MTT assay. The kDNA decatena...
- Investigations on cytotoxicity and anti-inflammatory potency of licofelone derivatives
[作者:Liu, WK; Zhou, JP; Bensdorf, K; Zhang, HB; Liu, HR; Wang, YB; Qian, H; Zhang, YC; Wellner, A; Rubner, G; Huang, WL; Guo, CC; Gust, R,期刊:European Journal of Medicinal Chemistry, 页码:907-913 , 文章类型: Article,,卷期:2011年46-3]
- A series of C5-substituted licofelone ([2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid) derivatives were developed by a parallel synthesis approach and investigated for cytotoxicity a...
- Use of aliphatic poly(amide urethane)s for the controlled release of 5-fluorouracil
[作者:Sobczak, M; Hajdaniak, M; Gos, P; Oledzka, E; Kolodziejski, WL,期刊:European Journal of Medicinal Chemistry, 页码:914-918 , 文章类型: Article,,卷期:2011年46-3]
- The controlled release of 5-fluorouracil (5FU) from aliphatic poly(amide urethane)s (PURs) was studied in vitro. Linear PUR conjugates were prepared by the reaction between oligo(epsilon-caprolactone) (PCL), oligo-lactid...
- Synthesis, hypoxia-selective cytotoxicity of new 3-amino-1,2,4-benzotriazine-1,4-dioxide derivatives
[作者:Xia, Q; Zhang, L; Zhang, J; Sheng, R; Yang, B; He, QJ; Hu, YZ,期刊:European Journal of Medicinal Chemistry, 页码:919-926 , 文章类型: Article,,卷期:2011年46-3]
- We reported the synthesis, hypoxic cytotoxic activities and selectivities of 18 new 3-(alkoxymethyl-amino)-1,2,4-benzotriazine 1,4-dioxides. The synthesized compounds were screened in vitro against 5 cell lines: K562, SM...
- Design, synthesis and evaluation of 3-methylene-substituted indolinones as antimalarials
[作者:Kumar, SP; Gut, J; Guedes, RC; Rosenthal, PJ; Santos, MMM; Moreira, R,期刊:European Journal of Medicinal Chemistry, 页码:927-933 , 文章类型: Article,,卷期:2011年46-3]
- The design, synthesis and evaluation of 3-methylene-substituted indolinones as falcipain inhibitors and antiplasmodial agents are described. These compounds react readily with thiols via an addition-elimination mechanism...
- Design, synthesis and biological activity of pyrazolo[1,5-a]pyrimidin-7(4H)-ones as novel Kv7/KCNQ potassium channel activators
[作者:Qi, J; Zhang, F; Mi, Y; Fu, Y; Xu, W; Zhang, DQ; Wu, YB; Du, XN; Jia, QZ; Wang, KW; Zhang, HL,期刊:European Journal of Medicinal Chemistry, 页码:934-943 , 文章类型: Article,,卷期:2011年46-3]
- Voltage-gated Kv7/KCNQ/M-potassium channels play a pivotal role in controlling neuronal excitability. Genetic reduction of KCNQ channel activity as a result of mutations causes various human diseases such as epilepsy and...
- alpha-D-Mannose derivatives as models designed for selective inhibition of Golgi alpha-mannosidase II
[作者:Polakova, M; Sestak, S; Lattova, E; Petrus, L; Mucha, J; Tvaroska, I; Kona, J,期刊:European Journal of Medicinal Chemistry, 页码:944-952 , 文章类型: Article,,卷期:2011年46-3]
- Human Golgi alpha-mannosidase II (hGM) is a pharmaceutical target for the design of inhibitors with antitumor activity. Nanomolar inhibitors of hGM exhibit unwanted co-inhibition of the human lysosomal alpha-mannosidase ...
- Efficient microwave-assisted synthesis of novel 3-aminohexahydrocoumarin derivatives and evaluation on their cytotoxicity
[作者:Shi, F; Dai, AX; Zhang, S; Zhang, XH; Tu, SJ,期刊:European Journal of Medicinal Chemistry, 页码:953-960 , 文章类型: Article,,卷期:2011年46-3]
- The efficient synthesis of novel 3-aminohexahydrocoumarin derivatives with high diastereoselectivity, wide applicability, short reaction time, high yields as well as operational simplicity was achieved via microwave-assi...
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