- Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: Parallel synthesis, molecular modelling and structure-activity relationship studies on analogues of O-(2-phenylethyl)-N-phenylthiocarbamate.
[作者:Cesarini, Sara;Spallarossa, Andrea;Ranise, Angelo;Bruno, Olga;La Colla, Paolo;Secci, Barbara;Collu, Gabriella;Loddo, Roberta;,期刊:Bioorganic & Medicinal Chemistry, 页码:4173-4185 , 文章类型: 研究论文,,卷期:2008年16-7]
- To acquire further insight into the structure-activity relation (SAR) of the thiocarbamates (TCs) described in the preceding work, 57 analogs of the lead compd. O-(2-phenylethyl)-N-phenylthiocarbamate I were prepd. by pa...
- Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Parallel synthesis, molecular modelling and structure-activity relationship studies on O-[2-(hetero)arylethyl]-N-phenylthiocarbamates.
[作者:Cesarini, Sara;Spallarossa, Andrea;Ranise, Angelo;Fossa, Paola;La Colla, Paolo;Sanna, Giuseppina;Collu, Gabriella;Loddo, Roberta;,期刊:Bioorganic & Medicinal Chemistry, 页码:4160-4172 , 文章类型: 研究论文,,卷期:2008年16-7]
- To expand the structure-activity relation (SAR) studies on Thiocarbamates (TCs), a recently discovered class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors, 38 analogs of the lead O-[2-(2-pyridyl)ethyl]-...
- Computational analysis of the binding affinities of the natural-product cyclopentapeptides argifin and argadin to chitinase B from Serratia marcescens.
[作者:Gouda, Hiroaki;Yanai, Yuichi;Sugawara, Akihiro;Sunazuka, Toshiaki;Omura, Satoshi;Hirono, Shuichi;,期刊:Bioorganic & Medicinal Chemistry, 页码:3565-3579 , 文章类型: 研究论文,,卷期:2008年16-7]
- Mol. dynamics (MD) simulations and the mol. mechanics Poisson-Boltzmann surface area (MM-PBSA) method were applied to study the interaction of the natural-product cyclopentapeptides, the chitinase inhibitors argifin and ...
- Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
[作者:Michalczyk, Anja;Klueter, Sabine;Rode, Haridas B.;Simard, Jeffrey R.;Gruetter, Christian;Rabiller, Matthias;Rauh, Daniel;,期刊:Bioorganic & Medicinal Chemistry, 页码:3482-3488 , 文章类型: 研究论文,,卷期:2008年16-7]
- Resistance to kinase-targeted cancer drugs has recently been linked to a single point mutation in the ATP binding site of the kinase. In EGFR, the crucial Thr790 gatekeeper residue is mutated to a Met and prevents rever...
- Alkyl deoxy-arabino-hexopyranosides: Synthesis, surface properties, and biological activities.
[作者:Silva, Filipa V. M.;Goulart, Margarida;Justino, Jorge;Neves, Ana;Santos, Fernando;Caio, Joao;Lucas, Susana;Newton, Ana;Sacoto, Diana;Barbosa, Ester;Santos, Maria-Soledade;Rauter, Amelia P.;,期刊:Bioorganic & Medicinal Chemistry, 页码:4083-4092 , 文章类型: 研究论文,,卷期:2008年16-7]
- Octyl and dodecyl glycosides possessing 2-deoxy-arabino-hexopyranoside moieties belonging to the D- and L-series in their a- and b-forms were synthesized by reaction of an acetyl protected glycal with octanol or dodecano...
- Nitro as a novel zinc-binding group in the inhibition of carboxypeptidase A.
[作者:Wang, Si-Hong;Wang, Shou-Feng;Xuan, Wei;Zeng, Zong-Hao;Jin, Jing-Yi;Ma, Jie;Tian, Guan Rong;,期刊:Bioorganic & Medicinal Chemistry, 页码:3596-3601 , 文章类型: 研究论文,,卷期:2008年16-7]
- as inhibitors against carboxypeptidase A (CPA). (R)-2-Benzyl-3-nitropropanoic acid showed a potent inhibition against CPA (Ki = 0.15 mM). X-ray crystallog. discloses that the nitro group well mimics the transition state...
- Structure-activity relationship of human GLO I inhibitory natural flavonoids and their growth inhibitory effects.
[作者:Takasawa, Ryoko;Takahashi, Saki;Saeki, Kazunori;Sunaga, Satoshi;Yoshimori, Atsushi;Tanuma, Sei-ichi;,期刊:Bioorganic & Medicinal Chemistry, 页码:3969-3975 , 文章类型: 研究论文,,卷期:2008年16-7]
- Glyoxalase I (GLO I) is the rate-limiting enzyme for detoxification of methylglyoxal (MG), a side product of glycolysis, which is able to induce apoptosis. Since GLO I is known to be highly expressed in the most tumor c...
- Carbonic anhydrase inhibitors: Inhibition of human cytosolic isozymes I and II and tumor-associated isozymes IX and XII with S-substituted 4-chloro-2-mercapto-5-methyl-benzenesulfonamides.
[作者:Saczewski, Franciszek;Innocenti, Alessio;Slawinski, Jaroslaw;Kornicka, Anita;Brzozowski, Zdzislaw;Pomarnacka, Elzbieta;Scozzafava, Andrea;Temperini, Claudia;Supuran, Claudiu T.;,期刊:Bioorganic & Medicinal Chemistry, 页码:3933-3940 , 文章类型: 研究论文,,卷期:2008年16-7]
- A series of S-substituted 4-chloro-2-mercapto-5-methyl-benzenesulfonamides has been investigated as inhibitors of four isoforms of the zinc enzyme carbonic anhydrase (CA, EC 4.2.1.1), i.e., the cytosolic, ubiquitous isoe...
- Novel 16-membered macrolides modified at C-12 and C-13 positions of midecamycin A1 and miokamycin. Part 1: Synthesis and evaluation of 12,13-carbamate and 12-arylalkylamino-13-hydroxy analogues.
[作者:Miura, Tomoaki;Kurihara, Ken-ichi;Furuuchi, Takeshi;Yoshida, Takuji;Ajito, Keiichi;,期刊:Bioorganic & Medicinal Chemistry, 页码:3985-4002 , 文章类型: 研究论文,,卷期:2008年16-7]
- Design and synthesis of 16-membered macrolides modified at the C-12 and 13 positions are described. The compds. we report here have an arylalkylamino group attached to the C-12 position of the macrolactone. Both types ...
- The structure-based design, synthesis and biological evaluation of DNA-binding bisintercalating bisanthrapyrazole anticancer compounds.
[作者:Hasinoff, Brian B.;Liang, Hong;Wu, Xing;Guziec, Lynn J.;Guziec, Frank S.;Marshall, Kyle;Yalowich, Jack C.;,期刊:Bioorganic & Medicinal Chemistry, 页码:3959-3968 , 文章类型: 研究论文,,卷期:2008年16-7]
- enzymes represent an important class of anticancer drugs. To find stronger DNA binding and more potent cytotoxic compds., a series of ester-coupled bisanthrapyrazole derivs. of 7-chloro-2-[2-[(2-hydroxyethyl)methylamino...
- Discovery of potent cholecystokinin-2 receptor antagonists: Elucidation of key pharmacophore elements by X-ray crystallographic and NMR conformational analysis.
[作者:Rosen, Mark D.;Hack, Michael D.;Allison, Brett D.;Phuong, Victor K.;Woods, Craig R.;Morton, Magda F.;Prendergast, Clodagh E.;Barrett, Terrance D.;Schubert, Carsten;Li, Lina;Wu, Xiaodong;Wu, Jiejun;Freedman, Jamie M.;Shankley, Nigel P.;Rabinowitz, Michael,期刊:Bioorganic & Medicinal Chemistry, 页码:3917-3925 , 文章类型: 研究论文,,卷期:2008年16-7]
- been identified, as exemplified by anthranilic sulfonamide 1 (pKi = 7.6). Pharmacokinetic and stability studies indicated that this series of compds. suffered from metabolic degrdn., and that both the benzothiadiazole an...
- Synthesis and GABAA receptor activity of oxygen-bridged neurosteroid analogs.
[作者:Alvarez, Lautaro D.;Veleiro, Adriana S.;Baggio, Ricardo F.;Garland, Maria T.;Edelsztein, Valeria C.;Coirini, Hector;Burton, Gerardo;,期刊:Bioorganic & Medicinal Chemistry, 页码:3831-3838 , 文章类型: 研究论文,,卷期:2008年16-7]
- Three analogs of neuroactive steroids were prepd. (4-6) in which 1,11- or 11,19-oxygen bridges give a constrained conformation. Their 3D structures were obtained by ab initio calcns. and in the case of 3a-hydroxy-11,19-...
- Studies on quinones. Part 43: Synthesis and cytotoxic evaluation of polyoxyethylene-containing 1,4-naphthoquinones.
[作者:Valderrama, Jaime A.;Leiva, Hilda;Rodriguez, Jaime A.;Theoduloz, Cristina;Schmeda-Hirshmann, Guillermo;,期刊:Bioorganic & Medicinal Chemistry, 页码:3687-3693 , 文章类型: 研究论文,,卷期:2008年16-7]
- A series of naphthoquinones 2,3-disubstituted with chlorine and oxyethylene groups have been prepd. from 2,3-dichloro- and 2,3-dimethoxy-1,4-naphthoquinone. The members of these series were tested on normal human fibrob...
- CoMFA and HQSAR studies on 6,7-dimethoxy-4-pyrrolidylquinazoline derivatives as phosphodiesterase 10A inhibitors.
[作者:Kulkarni, Shridhar S.;Patel, Maulik R.;Talele, Tanaji T.;,期刊:Bioorganic & Medicinal Chemistry, 页码:3675-3686 , 文章类型: 研究论文,,卷期:2008年16-7]
- Phosphodiesterase 10A (PDE10A) is an important enzyme with diverse biol. actions in intracellular signaling systems, making it an emerging target for diseases such as schizophrenia, Huntington's disease, and diabetes mel...
- Phosphonate-linked pyrrolo[2,1-c][1,4]benzodiazepine conjugates: Synthesis, DNA-binding affinity and cytotoxicity.
[作者:Kamal, Ahmed;Kumar, P. Praveen;Seshadri, B. N.;Srinivas, O.;Kumar, M. Shiva;Sen, Subrata;Kurian, Nisha;Juvekar, Aarti S.;Zingde, Surekha M.;,期刊:Bioorganic & Medicinal Chemistry, 页码:3895-3906 , 文章类型: 研究论文,,卷期:2008年16-7]
- Pyrrolobenzodiazepine-diethylphosphonate conjugates have been designed and synthesized that link through two different types of spacers that are simple alkane chain and also a piperazine moiety side-armed with the alkane...
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