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Bioorganic & Medicinal Chemistry Letters

K V G Chandra Sekhar, V S Rao, Ravi Kumar Vyas Devambatla, M Murali Krishna Kumar
No abstract text is available yet for this article.
March 20, 2017: Bioorganic & Medicinal Chemistry Letters
Aymeric Monteillier, Alexandre Loucif, Kiyoyuki Omoto, Edward B Stevens, Sergio Lainez, Pierre-Philippe Saintot, Lishuang Cao, David C Pryde
No abstract text is available yet for this article.
March 17, 2017: Bioorganic & Medicinal Chemistry Letters
Shenglin Luan, Qi Ge, Yedong Chen, Mingyang Dai, Jinyu Yang, Kun Li, Dan Liu, Linxiang Zhao
Myeloid cell leukemia-1 (Mcl-1) is an important antiapoptotic protein functioning through protein-protein interactions. We discovered LSL-A6 (2-((2-carbamoyl-1-(3-(4-methoxyphenoxy)propyl)-1H-indol-6-yl)oxy)acetic acid) with a novel N-substituted indole scaffold to interfere Mcl-1 binding as a novel Mcl-1 inhibitor. Molecular modeling indicated that this compound binds with Mcl-1 by interaction with P2 and R263 hot-spots. Structure modification focused on several moieties including indole core, hydrophobic tail and acidic chain were conducted and structure-activity relationship was analyzed...
March 16, 2017: Bioorganic & Medicinal Chemistry Letters
Brigitta Bodnár, Erzsébet Mernyák, Johanna Szabó, János Wölfling, Gyula Schneider, István Zupkó, Zoltán Kupihár, Lajos Kovács
The syntheses of monosaccharide-d-secoestrone conjugates are reported. They were prepared from 3-(prop-2-inyloxy)-d-secoestrone alcohol or oxime and monosaccharide azides via Cu(I)-catalyzed azide-alkyne cycloaddition reactions (CuAAC). The antiproliferative activities of the conjugates were investigated in vitro against a panel of human adherent cancer cell lines (HeLa, A2780 and MCF-7) by means of MTT assays. The protected d-glucose-containing d-secoestrone oxime bioconjugate (24b) proved to be the most effective with an IC50 value in the low micromolar range against A2780 cell line...
March 16, 2017: Bioorganic & Medicinal Chemistry Letters
Suresh Awale, Ahmed M Tawila, Dya Fita Dibwe, Jun-Ya Ueda, Sijia Sun, Sirivan Athikomkulchai, Chandrashaker Balachandran, Ikuo Saiki, Kinzo Matsumoto, Hiroyasu Esumi
From the chloroform extract of the leaves of Uvaria dac, four new highly-oxygenated cyclohexene derivatives named uvaridacols I-L (1-4) were isolated together with nine previously reported compounds (5-13). Their structures were determined based on the extensive NMR spectroscopic data and circular dichroism spectroscopic analysis. Among the new compounds, uvaridacol L (4) displayed strong preferential cytotoxicity in the nutrient deprived medium against five different tested pancreatic cancer cell lines, PANC-1 (PC50, 20...
March 11, 2017: Bioorganic & Medicinal Chemistry Letters
Chi-Ying Li, I-Wen Lo, Shih-Wei Wang, Tsong-Long Hwang, Yu-Ming Chung, Yuan-Bin Cheng, Sung-Pin Tseng, Yi-Hung Liu, Yu-Ming Hsu, Shu-Rong Chen, Hao-Chun Hu, Fang-Rong Chang, Yang-Chang Wu
A novel nor-betaenone compound, 11-norbetaenone (1), was isolated from the culture broth of an entomopathogenic fungus Lecanicillium antillanum. The structure was determined on the basis of 1D and 2D NMR spectroscopic data. The absolute stereochemistry of 1 was further confirmed by X-ray single crystallography analysis. It is the first secondary metabolite reported from the species Lecanicillium antillanum. And it is also the first time that a betaenone-type compound was isolated from the genus Lecanicillium...
March 11, 2017: Bioorganic & Medicinal Chemistry Letters
Minhang Xin, Yuan-Yuan Hei, Hao Zhang, Ying Shen, San-Qi Zhang
In this study, a series of new 6-aryl substituted 4-anilinequinazolines was designed and synthesized as PI3Kδ inhibitors based on our reported chemical structures. The preliminary structure-activity relationship (SAR) was established, and compounds 13h and 13k displayed most potent PI3Kδ inhibitory activities with the IC50 values of 9.3nM and 9.7nM, respectively. Compound 13h demonstrated similar anti-proliferative profiles to idelalisib against three human B cell lines. Three key hydrogen bonding interactions were found in the docking of 13h with PI3Kδ enzyme...
March 11, 2017: Bioorganic & Medicinal Chemistry Letters
Ying-Hong Li, Zhou-Yi Wu, Sheng Tang, Xin Zhang, Yan-Xiang Wang, Jian-Dong Jiang, Zong-Gen Peng, Dan-Qing Song
Twenty-two novel 12N-substituted matrinic ethanol derivatives were synthesized and evaluated for their antiviral activities against HCV taking compound 1 as the lead. The SAR study indicated that the shortening of the 11-butyl chain to ethyl chain did not affect the activity significantly. Out of the target compounds, matrinic ethanol 6a demonstrated a potential anti-HCV effect with an EC50 value of 3.2μM and a SI value of 96.6. The free hydroxyl arm in 6a made it possible as a parent structure to prepare pro-drug for the potential application in HCV treatment...
March 11, 2017: Bioorganic & Medicinal Chemistry Letters
Xiong-Jie Cai, Zhi Li, Wen-Hua Chen
Two tripodal squaramide conjugates having 4-(trifluoromethyl)phenyl and 3,5-bis(trifluoromethyl)phenyl substituents were synthesized and found to exhibit highly efficient transmembrane anion transport with the EC50 values being 0.14 and 0.75mol%, respectively. Though one of them has been reported to act as a strong anion receptor, in particular for sulfate anions, these two compounds exhibit no significant selectivity with respect to the tested monovalent anions and a very low level of activity in the presence of sulfate anions...
March 10, 2017: Bioorganic & Medicinal Chemistry Letters
John Liddle, Benjamin Beaufils, Margaret Binnie, Anne Bouillot, Alexis A Denis, Michael M Hann, Carl P Haslam, Duncan S Holmes, Jon P Hutchinson, Michael Kranz, Andrew McBride, Olivier Mirguet, Damian J Mole, Christopher G Mowat, Sandeep Pal, Paul Rowland, Lionel Trottet, Iain J Uings, Ann L Walker, Scott P Webster
A series of potent, competitive and highly selective kynurenine monooxygenase inhibitors have been discovered via a substrate-based approach for the treatment of acute pancreatitis. The lead compound demonstrated good cellular potency and clear pharmacodynamic activity in vivo.
March 9, 2017: Bioorganic & Medicinal Chemistry Letters
John R Proudfoot
An atom environment, path based approach to calculating molecular complexity is described. Based on Shannon's equation, the method transforms the number and diversity of paths emanating from an atom to an atom-complexity from which a number of molecular complexity measures are derived. The method is independent of explicitly predefined features such as ring membership, bond types, chirality or symmetry. These path-based measures of complexity can distinguish subtle differences in molecular structure and an application to the visualization of marketed drugs, including a number of biologics, is presented...
March 9, 2017: Bioorganic & Medicinal Chemistry Letters
Soukaina Alaoui, Maeva Dufies, Mohsine Driowya, Luc Demange, Khalid Bougrin, Guillaume Robert, Patrick Auberger, Gilles Pagès, Rachid Benhida
Nucleoside analogues are among the most known drugs commonly used in antiviral and anticancer chemotherapies. Among them, those featuring a five-membered ring nucleobase are of utmost interest such as the anti-cancer agent AICAR or the anti-viral drug ribavirin. Despite its low activity in vitro in different cell lines, AICAR is under clinical development for several pathologies, thanks to its original mode of action. Indeed, AICAR induced autophagy cell death and is able, following this mechanism, to circumvent resistance to apoptotic drugs including kinase inhibitors currently on the market...
March 9, 2017: Bioorganic & Medicinal Chemistry Letters
Kim M Hutchings, Erika M Lisabeth, Walajapet Rajeswaran, Michael W Wilson, Roderick J Sorenson, Phillip L Campbell, Jeffrey H Ruth, Asif Amin, Pei-Suen Tsou, Jeffrey R Leipprandt, Samuel R Olson, Bo Wen, Ting Zhao, Duxin Sun, Dinesh Khanna, David A Fox, Richard R Neubig, Scott D Larsen
We recently reported the development of a novel inhibitor of Rho-mediated gene transcription (1, CCG-203971) that is efficacious in multiple animal models of acute fibrosis, including scleroderma, when given intraperitoneally. The modest in vivo potency and poor pharmacokinetics (PK) of this lead, however, make it unsuitable for long term efficacy studies. We therefore undertook a systematic medicinal chemistry effort to improve both the metabolic stability and the solubility of 1, resulting in the identification of two analogs achieving over 10-fold increases in plasma exposures in mice...
March 9, 2017: Bioorganic & Medicinal Chemistry Letters
Zhipeng Xiong, Junfan Niu, Hao Liu, Zhihong Xu, Junkai Li, Qinglai Wu
Phenazine-1-carboxylic acid (PCA) as a natural product widely exists in microbial metabolites of Pseudomonads and Streptomycetes and has been registered for the fungicide against rice sheath blight in China. To find higher fungicidal activities compounds and study the effects on fungicidal activities after changing the carboxyl group of PCA, we synthesized a series of PCA derivatives by modifying the carboxyl group of PCA and their structures were confirmed by (1)H NMR and HRMS. Most compounds exhibited significant fungicidal activities in vitro...
March 8, 2017: Bioorganic & Medicinal Chemistry Letters
Cristian Tirapegui, Williams Acevedo-Fuentes, Pablo Dahech, Claudia Torrent, Pablo Barrias, Macarena Rojas-Poblete, Carolina Mascayano
Two series of diaza derivatives were prepared by solvent-free condensation of benzoic acid and 4-substituted phenylhydrazines in order to obtain phenylhydrazides (HYD series) and, by oxidation of these compounds, the corresponding benzoyldiazenes (DIA series). Both sets were evaluated as inhibitors of soybean 15-lipoxygenase activity and antioxidant capability in the FRAP and CUPRAC assays. The most potent inhibitors of both series exhibited IC50 values in the low micromolar range. Kinetic studies showed that at least the more active compounds were competitive inhibitors...
March 8, 2017: Bioorganic & Medicinal Chemistry Letters
Chetan K Khatri, Krishna S Indalkar, Chandragouda R Patil, Sameer N Goyal, Ganesh U Chaturbhuj
A series of 2-phenyl-4,5,6,7-tetrahydro[b]benzothiophene derivatives were synthesized and evaluated for in vitro COX inhibitory potential. Within the series, compounds 4a, 4j, 4k, and 4q were identified as potential and selective COX-2 inhibitors with COX-2 IC50 in 0.31-1.40µM range; COX-2 selectivity index (SI)=48.8-183.8 range and they showed percent PGE-2 inhibitory activity in the range of 25.4-46.9. Further, compounds 4a, 4j, 4k and 4q displayed potent anti-inflammatory activity with percentage rise in paw volume ranging from 21...
March 8, 2017: Bioorganic & Medicinal Chemistry Letters
Xiao-Ling Wang, Fu-Rong Jiao, Meng Yu, Li-Bin Lin, Jian Xiao, Qiang Zhang, Le Wang, Dong-Zhu Duan, Gang Xie
One new flavone hydrate named lobatflavate (1), one new chromone named lobatchrosin (2), and one new isoflavone named 3S,4R-tuberosin (3), along with four known isoflavone analogues (4-7), were isolated from the traditional Chinese medicinal plant of Pueraria lobata (Willd.) ohwi. Their structures were elucidated by extensive spectroscopic methods of IR, UV, HR-ESI-MS, 1D and 2D NMR. The absolute configuration of 3 was determined by CD spectrum associated with TD-DFT calculation analysis. All compounds except for 2 were assayed the inhibitory activity against α-glucosidase...
March 7, 2017: Bioorganic & Medicinal Chemistry Letters
Thanh Tra Nguyen, Bich Ngan Truong, Huong Doan Thi Mai, Marc Litaudon, Van Hung Nguyen, Thao Do Thi, Van Minh Chau, Van Cuong Pham
Four new dammarane-type triterpenoids (1-4) and twelve known compounds (5-16) were isolated from the leaves of Viburnum sambucinum Reinw. ex Blume. Their structures were determined by spectral data analysis, including MS and 2D NMR. Cytotoxic activity evaluation in vitro against four cancer cell lines (KB, LU-1, HepG2 and MCF7) suggested that the octanor-dammarane derivatives were the main cytotoxic components of the leaves of V. sambucinum.
March 7, 2017: Bioorganic & Medicinal Chemistry Letters
Guo-Xue He, Jing-Mei Yuan, Hai-Miao Zhu, Kai Wei, Ling-Yun Wang, Shi-Lin Kong, Dong-Liang Mo, Cheng-Xue Pan, Gui-Fa Su
2,2-Dihydroxyarylethanones, readily prepared from the commercially available aromatic ethyl ketones, were reacted with resorcinol, 3-methoxyphenol or 2-methoxyphenol in multi steps one-pot manner promoted by trifluoroacetic acid to furnish the 2,3-diarylbenzofuran derivatives in 22-95% yield. Sixteen targeted compounds were synthesized and characterized by (1)H NMR, (13)C NMR and HRMS. MTT assay indicated that most compounds possessed effectively inhibitory activities against the proliferation of HeLa cell...
March 7, 2017: Bioorganic & Medicinal Chemistry Letters
Anna Adamska-Bartłomiejczyk, Anna Janecka, Márton Richárd Szabó, Maria Camilla Cerlesi, Girolamo Calo, Alicja Kluczyk, Csaba Tömböly, Attila Borics
In this study we report the in vitro activities of four cyclic opioid peptides with various sequence length/macrocycle size and N-methylamino acid residue content. N-Methylated amino acids were incorporated and cyclization was employed to enhance conformational rigidity to various extent. The effect of such modifications on ligand structure and binding properties were studied. The pentapeptide containing one endocyclic and one exocyclic N-methylated amino acid displayed the highest affinity to the mu-opioid receptor...
March 7, 2017: Bioorganic & Medicinal Chemistry Letters
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