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Future Medicinal Chemistry

Zhaojun Zheng, Qingzhong Liu, Wooseong Kim, Nagendran Tharmalingam, Beth Burgwyn Fuchs, Eleftherios Mylonakis
AIM:  Staphylococcus aureus is a major cause of severe hospital-acquired infections, and biofilm formation is an important part of staphylococcal pathogenesis. Therefore, developing new antimicrobial agents against both planktonic cells and biofilm of S. aureus is a major challenge. RESULTS: Three 1,3,4-oxadiazole derivatives exhibited antimicrobial activity against seven S. aureus strains in vitro, with minimum inhibitory concentrations ranging from 4 to 32 μg/ml...
January 15, 2018: Future Medicinal Chemistry
Riham F George
AIM: Discovery of novel potent anticancer agents with lower side effects is a challenge to overcome cancer, the second leading cause of death. METHODOLOGY: 2-oxindole-based hydrazides (6a-g) and benzenesulfonyl hydrazides (9a-d) were synthesized by simple condensation reactions of the appropriate hydrazides (2a-g) or (8a-d) with 1-ethyl-2,3-oxindolinedione (4). They were screened for their cytotoxicity against HepG2 (liver), MCF-7 (breast), HCT116 (colon) and A549 (lung) cancer cell lines...
January 15, 2018: Future Medicinal Chemistry
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No abstract text is available yet for this article.
January 8, 2018: Future Medicinal Chemistry
(no author information available yet)
No abstract text is available yet for this article.
January 8, 2018: Future Medicinal Chemistry
(no author information available yet)
No abstract text is available yet for this article.
January 8, 2018: Future Medicinal Chemistry
(no author information available yet)
No abstract text is available yet for this article.
January 8, 2018: Future Medicinal Chemistry
Ishwar Singh
Ishwar Singh speaks to Benjamin Walden, Commissioning Editor. Ishwar Singh is a Senior Lecturer in biological chemistry at the School of Pharmacy, University of Lincoln. Prior to Lincoln, he had held many prestigious fellowships such as the Alexander von Humboldt fellowship, Germany; and Senior Research Fellowship, DANIDA, Denmark and CSIR, India. He is an organic chemist. He has developed bioconjugations for DNA, RNA and polymer modifications. He is currently leading research in novel antimicrobials based on rational design against clinically important resistant bacteria (such as methicillin-resistant Staphylococcus aureus, vancomycin-resistant enterococci, mycobacteria, Klebsiella pneumoniae, Acinetobacter baumannii and Pseudomonas aeruginosa), biologics delivery, peptides, sequence-selective DNA cross linking, nanoparticles modifications for drug delivery and diagnostic applications...
December 15, 2017: Future Medicinal Chemistry
Hanaa Ma Hashem, Marianne A Mahrouse
AIM: Metabolism study of PH-797804, a promising newly developed drug for treatment of chronic inflammation which inhibits P38 mitogen-activated protein kinase. MATERIALS & METHODS: Susceptibility of PH-797804 to metabolism was first investigated using SMARTCyp and Xenosite web servers. Molecular docking of the drug into CYP3A4 crystal structures evaluated binding interactions with active site. The predicted results were confirmed by in vitro incubation with rat S9 fraction...
December 14, 2017: Future Medicinal Chemistry
Somaia S Abd El-Karim, Manal M Anwar, Eman R Zaki, Samia A Elseginy, Zienab M Nofal
AIM: Synthesis of novel glutathione S-transferases (GSTs) inhibitors constitutes a promising strategy in cancer treatment. Results/methodology: A new set of benzimidazoles clubbed with various heterocycles as GST inhibitors and anticancer agents were synthesized. The biological results proved the potential of the new compounds as GST inhibitors, specifically compounds 7 and 14 which produced more potency than ethacrynic acid by three- and tenfold, respectively. Most compounds exhibited promising cytotoxic activity against breast and colon cancer cell lines...
December 13, 2017: Future Medicinal Chemistry
Gloria Antobreh, Istvan Enyedy, Aina Westrheim Ravna
AIM: Low oxytocin (OT) level is involved in a number of psychiatric diseases, indicating that OT could be used to aid treating these disorders. OT itself is unable to cross the blood-brain barrier, and development of new small nonpeptide drugs targeting the OT receptor (OXTR) may be beneficial for treating mental disorders. Results & methodology: Three OXTR models were constructed based on crystallized homologous proteins (Protein Data Bank [PDB]: 2Y00, PDB: 4BVN and PDB: 4LDE). The abilities of the models to discriminate between true binders and decoys were analyzed using receiver operating characteristics curves, and the 4LDE-based model gave the best result...
December 13, 2017: Future Medicinal Chemistry
Ghaneya S Hassan, Hanan H Georgey, Riham F George, Eman R Mohammed
AIM: In spite of the availability of different chemotherapies for cancer treatment, there is still a need for new candidates with higher efficacy and lower toxicity. METHODOLOGY: Aurones 7a-f, 8a-f and furoaurones 13a-f, 16a-c were synthesized. Some compounds were selected by the National Cancer Institute, USA, for cytotoxicity screening. RESULTS & DISCUSSION: The furoaurone derivative, 13a was the most active one exhibiting promising growth inhibition against leukemia, K562 and melanoma, MDA-MB-435 cells at concentration of 10 μM...
December 13, 2017: Future Medicinal Chemistry
Noha H Amin, Asmaa A Mohammed, Khaled Ra Abdellatif
AIM: There has been an enormous commercial development following the introduction of selective COX-2 inhibitors. Efforts are continuously done to discover efficient and safe COX-2 inhibitors. RESULTS: A series of 4-methylsulfonylphenyl derivatives was designed, synthesized and screened for preferential inhibition of COX-2 over COX-1 isoforms and in vivo anti-inflammatory activity using the rat paw edema method. The most active ones were investigated via ulcerogenic liability and molecular docking...
December 13, 2017: Future Medicinal Chemistry
Ana Miranda, Tânia Cova, João Sousa, Carla Vitorino, Alberto Pais
The integrated in silico-in vitro-in vivo approaches have fostered the development of new treatment strategies for glioblastoma patients and improved diagnosis, establishing the bridge between biochemical research and clinical practice. These approaches have provided new insights on the identification of bioactive compounds and on the complex mechanisms underlying the interactions among glioblastoma cells, and the tumor microenvironment. This review focuses on the key advances pertaining to computational modeling in glioblastoma, including predictive data on drug permeability across the blood-brain barrier, tumor growth and treatment responses...
December 13, 2017: Future Medicinal Chemistry
Olayide A Arodola, Mahmoud Es Soliman
AIM: Cathepsin D, one of the attractive targets in the treatment of breast cancer, has been implicated in HIV neuropathogenesis with potential proteolytic effects on chemokines. Methodology/result: Diverse modeling tools were used to reveal the key structural features affecting the inhibitory activities of 78 pepstatin A analogs. Analyses were performed to investigate the stability, rationality and fluctuation of the analogs. Results showed a clear correlation between the experimental and predicted activities of the analogs as well as the variation in their activities relative to structural modifications...
December 13, 2017: Future Medicinal Chemistry
Eloi M Lago, Rogério P Xavier, Thaina R Teixeira, Lívia M Silva, Ademar A da Silva Filho, Josué de Moraes
Praziquantel has remained the drug of choice for schistosomiasis chemotherapy for almost 40 years. The pressing need to develop a new antischistosomal drug may necessitate exploring and filtering chemotherapeutic history to search for the most promising ones. In this context, this review attempts to summarize all progress made in schistosomiasis chemotherapy from the early 20th century (mid-1910s) to 2016. We gathered almost 100 compounds providing information on therapeutic action, specifically covering at least first in vivo studies in animal model and in vitro...
December 13, 2017: Future Medicinal Chemistry
Mahesh Bhat, Shiddappa Lagamappa Belagali
AIM: Benzothiazole and pyrazoles are two important pharmacophores, the activity can be enhanced by conjugating them. Here, two novel series of the pyrazole-conjugated benzothiazole derivatives were synthesized. RESULTS: Synthesized compounds were characterized by Fourier-transform infrared, LC-MS, 1H NMR and 13C NMR spectroscopic techniques. Synthesized compounds exhibited moderate antimicrobial, antioxidant and excellent anti-TB activities. In in vitro anti-TB activity, 4d and 4e exhibited 1...
December 13, 2017: Future Medicinal Chemistry
Sidra Khan, Abid Ali, Asad U Khan
New Delhi Metallo β-lactamase-1 (NDM-1) is a member of the Metallo-β-lactamase family, capable of catalyzing the hydrolysis of all β-lactam antibiotics. The rapid dissemination of NDM producers, 'superbugs', has become a worldwide concern to health workers. Seventeen different variants of NDM have been reported so far, across the world. These variants varied in their sequences either by single or multiple amino acid substitutions. This review summarizes the crystal structure of NDM and provides a comparative analysis of all variants...
December 5, 2017: Future Medicinal Chemistry
Nahed M Eid, Riham F George
AIM: Search for new anti-inflammatory agents with higher efficacy and lower toxicity is an urgent demand in drug discovery era. METHODOLOGY: Different pyrazoline derivatives 4a,b, 5a,b, 6a-h and 7a-f were prepared from the condensation reactions of 1,5-bis(5-methylfuran/thiophen-2-yl)penta-1,4-dien-3-ones 3a,b with different hydrazine derivatives. All compounds were screened for their anti-inflammatory activity using the carrageenan-induced paw edema method in rats and TNF-α inhibition assay...
November 29, 2017: Future Medicinal Chemistry
Emanuela Arena, Maria Dichiara, Giuseppe Floresta, Carmela Parenti, Agostino Marrazzo, Valeria Pittalà, Emanuele Amata, Orazio Prezzavento
Sigma-1 (σ1) receptor has been identified as a chaperone protein that interacts with other proteins, such as N-methyl-D-aspartate (NMDA) and opioid receptors, modulating their activity. σ1 receptor antagonists have been developed to obtain useful compounds for the treatment of psychoses, pain, drug abuse and cancer. Some interesting compounds such as E-5842 (5) and MS-377 (24), haloperidol and piperazine derivatives, respectively, were endowed with high affinity for σ1 receptors (Ki σ1 = 4 and 73 nM; Ki σ2 = 220 and 6900, respectively)...
November 29, 2017: Future Medicinal Chemistry
Sk Abdul Amin, Nilanjan Adhikari, Tarun Jha
The pan-histone deacetylase (HDAC) inhibitors comprise a fish-like structural orientation where hydrophobic aryl- and zinc-binding groups act as head and tail, respectively of a fish. The linker moiety correlates the body of the fish linking head and tail groups. Despite these pan-HDAC inhibitors, selective HDAC-8 inhibitors are still in demand as a safe remedy. HDAC-8 is involved in invasion and metastasis in cancer. This review deals with the rationale behind HDAC-8 inhibitory activity and selectivity along with detailed structure-activity relationships of diverse hydroxamate-based HDAC-8 inhibitors...
November 28, 2017: Future Medicinal Chemistry
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