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Current Topics in Medicinal Chemistry

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https://www.readbyqxmd.com/read/28982336/multi-target-metal-based-anticancer-agents
#1
Zhen-Feng Chen, Chris Orvig, Hong Liang
In order to obtain multi-targeting drugs with high safety and entirety efficacy, more and more medicinal chemists devoted arduous efforts to the development of multi-target drugs for the cancer treatment, because cancer is a kind of very complicate disease and connects with multifold pathogenic factors. In this review, we focused on the multi-targeting metal-based anticancer agents, in which platinum, ruthenium, rhodium, gold, silver, copper, cobalt, zinc, nickel complexes were included. Future directions for the development of multi-targeted metal-based anticancer agents were proposed...
October 4, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28914193/chalcone-derivatives-anti-inflammatory-potential-and-molecular-targets-perspectives
#2
Debarshi Kar Mahapatra, Sanjay Kumar Bharti, Vivek Asati
Chalcone or (E)-1,3-diphenyl-2-propene-1-one scaffold has gained considerable scientific interest in medicinal chemistry owing to its simple chemistry, ease in synthesizing a variety of derivatives and exhibiting a broad range of promising pharmacological activities by modulating several molecular targets. A number of natural and (semi-) synthetic chalcone derivatives have demonstrated admirable anti-inflammatory activity due to their inhibitory potential against various therapeutic targets like cyclooxygenase (COX), lipooxygenase (LOX), interleukins (IL), prostaglandins (PGs), nitric oxide synthase (NOS), leukotriene D4 (LTD4), nuclear factor-κB (NF-κB), intracellular cell adhesion molecule-1 (ICAM-1), vascular cell adhesion molecule-1 (VCAM-1), monocyte chemoattractant protein-1 (MCP-1) and TLR4/MD-2, etc...
September 14, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828995/state-of-art-review-and-report-of-new-tool-for-drug-discovery
#3
Yoan Martínez-López, Yaile Caballero, Stephen J Barigye, Yovani Marrero-Ponce, Reisel Millán-Cabrera, Julio Madera, Francisco Torrens, Juan A Castillo-Garit
BACKGROUND: There are a great number of tools that can be used in QSAR/QSPR studies; they are implemented in several programs that are reviewed in this report. The usefulness of new tools can be proved through comparison, with previously published approaches. In order to perform the comparison the most usual is the use of several benchmark datasets such as DRAGON and Sutherland's datasets. METHODS: Here, an exploratory study of Atomic Weighted Vectors (AWVs), a new tool useful for drug discovery using different datasets, is presented...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828994/computational-chemistry-study-of-natural-alkaloids-and-homemade-databank-to-predict-inhibitory-potential-against-key-enzymes-in-neurodegenerative-disease
#4
Vitor Prates Lorenzo, Mateus Feitosa Alves, Luciana Scotti, Sócrates Golzio Dos Santos, Margareth de Fátima Formiga Melo Diniz, Marcus Tullius Scotti
Cissampelos sympodialis Eichl is used in folk medicine for the treatment of various inflammatory diseases; several alkaloids were isolated from this species and some of them have anti-allergic activity, immunomodulatory and spasmolytic. Treatment of rats with the total tertiary alkaloid fraction showed an antidepressant effect. One of the depression causes can be the deficiency of monoamines, which is a factor displayed in patients with Alzheimer's disease. Theoretical studies using in silico methods have aided in the process of drug discovery...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828993/general-machine-learning-model-review-and-experimental-theoretic-study-of-magnolol-activity-in-enterotoxigenic-induced-oxidative-stress
#5
Yanli Deng, Yong Liu, Shaoxun Tang, Chuanshe Zhou, Xuefeng Han, Wenjun Xiao, Lucas Anton Pastur-Romay, José Manuel Vázquez-Naya, Javier Pereira Loureiro, Cristian R Munteanu, Zhiliang Tan
This study was evaluated the antioxidative effects of magnolol based on the mouse model induced by Enterotoxigenic Escherichia coli (E. coli, ETEC). All experimental mice were equally treated with ETEC suspensions (3.45×109 CFU/ml) after oral administration of magnolol for 7 days at the dose of 0, 100, 300 and 500 mg/kg body weight (BW), respectively. The oxidative metabolites and antioxidases for each sample (organism of mouse) were determined: malondialdehyde (MDA), nitric oxide (NO), glutathione (GSH), myeloperoxidase (MPO), catalase (CAT), superoxide dismutase (SOD), and glutathione peroxidase (GPx)...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828992/cyclopentenyl-fatty-acids-history-biological-activity-and-synthesis
#6
Hadia Almahli
This review discusses the substantial cyclopentenyl fatty acid class of naturally occurring lipids. These compounds are historically important and have recently been shown to exhibit remarkable biological activity relevant to producing new antibiotic agents. Information about the history of cyclopentenyl fatty acids, their use in traditional and modern medicine, as well as biological activity, and methods for their synthesis are given.
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828991/a-virtual-screening-approach-for-the-identificationof-high-affinity-small-molecules-targeting-bcr-abl1-inhibitors-for-the-treatment-of-chronic-myeloid-leukemia
#7
Saphy Sharda, Palash Sarmandal, Shirisha Cherukommu, Kiran Dindhoria, Manisha Yadav, Srinivas Bandaru, Anudeep Sharma, Aditi Sakhi, Tanmay Vyas, Tajamul Hussain, Anuraj Nayarisseri, Sanjeev Kumar Singh
CML originates due to reciprocal translocation in Philadelphia chromosome leading to formation of fusion product BCR-ABL which constitutively activates tyrosine kinase signaling pathways eventually abnormal proliferation of granulocytic cells. As a therapeutic strategy, BCR-ABL inhibitors have been clinically approved which terminates its phosphorylation activity and retards cancer progression. However,number of patients develops resistance to inhibitors which demand for discovery of new inhibitors. Given the drawbacks of present inhibitors, by high throughput virtual screening approaches, present study pursues to identify high affinity compounds targeting BCR-ABL1 anticipated to have safer pharmacological profiles...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828990/update-on-cox-2-selective-inhibitors-chemical-classification-side-effects-and-their-use-in-cancers-and-neuronal-diseases
#8
Anita-Marie Rayar, Nathalie Lagarde, Clotilde Ferroud, Jean-François Zagury, Matthieu Montes, Maité Sylla-Iyarreta Veitía
Inflammation is a complex phenomenon necessary in human defense mechanisms but also involved in the development of some human diseases. The discovery of cyclooxygenase-2 (COX-2) improved the pharmacology of nonsteroidal anti-inflammatory drugs (NSAID) giving a clear mechanism for prostaglandin regulation in vivo and providing a new target for the development of COX-2-selective drugs without gastrointestinal side-effects. Keeping in view the importance of this pharmacological class, several literature reports have underlined the impact of these anti-inflammatory compounds in therapeutics...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28828989/ultrasensitive-electrochemical-sensors-for-psa-detection-related-surface-functionalization-strategies
#9
Nesrine Blel, Najla Fourati, Mina Souiri, Chouki Zerrouki, Asma Omezzine, Ali Bouslama, Ali Othmane
Prostate cancer is the most common male cancer in the world. The diagnosis, staging, prognosis and monitoring are usually done with Prostate Specific Antigen (PSA). Biosensors have emerging as a novel analytical technology for PSA detection. They provide several advantages for clinical applications and will benefit clinicians, patients and forensic workers in the future. Among them, electrochemical immunosensors have gained growing interests. Hence, their sensitivity is often improved by modifying them with nanoparticles especially iron oxide (IONP)...
August 21, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28816107/fishing-anti-inflammatories-from-known-drugs-in-silico-repurposing-design-synthesis-and-biological-evaluation-of-bisacodyl-analogues
#10
Maité Sylla-Iyarreta Veitía, Dany Siverio Mota, Vanessa Lerari, Marta Marín, Rosa M Giner, Liliana Vicet Muro, Yankier Rivero Guerra, Françoise Dumas, Clotilde Ferroud, Peter A M de Witte, Alexander D Crawford, Vicente J Arán, Yovani Marrero Ponce
Herein is described in silico repositioning, design, synthesis, biological evaluation and structure-activity relationship (SAR) of an original class of anti-inflammatory agents based on a polyaromatic pharmacophore structurally related to bisacodyl (BSL) drug used in therapeutic as laxative. We describe the potential of TOMOCOMD-CARDD methods to find out new anti-inflammatory drug-like agents from a diverse series of compounds using the total and local atom based bilinear indices as molecular descriptors. The models obtained were validated by biological studies, identifying BSL as the first anti-inflammatory lead-like using in silico repurposing from commercially available drugs...
August 17, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28730959/chemometric-analysis-of-inter-and-intra-molecular-diversification-factors-by-a-machine-learning-simplex-approach-a-review-and-research-on-astragalus-saponins
#11
Abir Sarraj-Laabidi, Habib Messai, Asma Hammami-Semmar Hammami-Semmar, Nabil Semmar
Metabolisms represent highly organized systems characterized by strong regulations satisfying the mass conservation principle. This makes a whole chemical resource to be competitively shared between several ways at both intra-and inter-molecular scales. Whole resource sharing can be statistically associated with a constant sum-unit constraint which represents the basis of simplex mixture rule. In this work, a new simplex-based simulation approach was developed to learn scaffold information on metabolic processes controlling molecular diversity from a wide set of observed chemical structures...
July 19, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28730958/engineering-synergistically-active-and-bioavailable-cost-effective-medicines-for-neglected-tropical-diseases-the-role-of-excipients
#12
Dolores R Serrano, Aikaterini Lalatsa, M Auxiliadora Dea-Ayuela
Leishmaniasis is a neglected tropical disease responsible for the ninth largest disease burden in the world threatening 350 million people mostly in developing countries. The lack of efficacy, severe adverse effects, long duration, high cost and parenteral administration of the current therapies result in poor patient compliance and emergence of resistance. Leishmaniasis' unmet need for safer, affordable and more effective treatments is only partly addressed by today's global health product pipeline that focuses on products amenable to rapid clinical development, mainly by reformulating or repurposing existing drugs for new uses...
July 19, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28730957/design-preparation-and-characterization-of-modular-squalene-based-nanosystems-for-controlled-drug-release
#13
Jiao Feng, Sinda Lepetre-Mouelhi, Patrick Couvreur
This article reviews the innovative and original concept the "squalenoylation", a technology allowing the formulation of a wide range of drug molecules (both hydrophilic and lipophilic) as nanoparticles. The "squalenoylation" approach is based on the covalent linkage between the squalene, a natural and biocompatible lipid belonging to the terpenoid family, and a drug, in order to increase its pharmacological efficacy. Fundamentally, the dynamically folded conformation of squalene triggers the resulting squalene-drug bioconjugates to self-assemble as nanoparticles of 100-300 nm...
July 19, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28730956/review-on-bioorganometallic-chemistry-and-new-outcomes-in-the-synthesis-and-substitution-of-tetracarbonyl-pyrrolylimine-complexes-of-rhenium-with-organophosphorus-ligands
#14
Antoine Simonneau, Franck Le Bideau, Jean-Hugues Mirebeau, Jérôme Marrot, Gérard Jaouen
: After a short review dealing with bioorganometallic chemistry, the synthesis of tetracarbonyl (pyrrolylimine) complexes of rhenium bearing chirality on the pyrrolyl ligands was reported.The reactivity of these compounds towards the substitution of one carbonyl ligand with triphenyl phosphine, tricyclohexyl phosphine and trimethyl phosphite was studied. The rhenium becoming a stereogenic center in that transformation, the resulting tricarbonyl species were obtained as mixtures of diastereomers, with diastereomeric excesses varying from 8 to 84%, according to the reaction conditions and the relative steric hindrances of the pyrrolylimine and the organophosphorus ligands...
July 19, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28714419/design-of-multi-target-agents-for-the-treatment-of-alzheimer-s-disease-based-on-tacrine
#15
Hongzhi Lin, Qi Li, Kai Gu, Jie Zhu, Xueyang Jiang, Yao Chen, Haopeng Sun
Alzheimer's disease (AD) is one of the most common forms of dementia in elderly people. To date, efficacious therapeutic agent for the treatment of AD is still very limited, so it has long been a challenging and attractive task to discover new anti-AD drugs. Considering the multifactorial nature of AD, recently, the concept of multi-target-directed ligands (MTDLs) has emerged as a new strategy for designing therapeutic agents on AD. MTDLs are believed to exert their effects through simultaneously affecting multiple targets which contribute to etiology of AD...
July 17, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28685694/multi-targeting-strategies-for-alzheimer-s-disease-therapeutics-pros-and-cons
#16
Sucharita Das, Soumalee Basu
Alzheimer's disease (AD) is a single major cause of dementia in middle to old age individuals involving several different etiopathological mechanisms that are yet to be properly characterized. Major invariant and characteristic features consist of the progressive cerebral deposition of the amyloid β-protein (Aβ) and the neurofibrillary degeneration through neurofibrillary tangles (NFT) formed by hyperphosphorylation of the tau proteins in the regions of the brain that deal with memory and cognition. There are at least five subgroups of AD that can be identified by determining cerebro-spinal fluid (CSF) levels of Aβ1-42, tau and ubiquitin...
July 7, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28685693/multi-targeted-anticancer-agents
#17
Wei Zheng, Yao Zhao, Qun Luo, Yang Zhang, Kui Wu, Fuyi Wang
There is great demand for the development of novel anticancer drugs, due to the increasing morbidity and high mortality of cancer. To date, chemotherapy still plays a central role in the clinical treatment of cancer, but this role is being reduced by targeted therapies. Since cancer is a complicated and multiple genes involved disease, drugs that act at multiple targets can enhance efficacy and lower drug resistance, and are thought to be the future of novel anticancer drug development. In this paper, we discuss the recent development of "single molecule, multi-target" anticancer agents that combine two or more pharmacophores in a single molecule, including organic multi-targeted anticancer agents and metal based complexes such as platinum, ruthenium, iridium and rhodium complexes...
July 7, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28685689/arylurea-derivatives-a-class-of-potential-cancer-targeting-agents
#18
Jia-Nian Chen, De-Wen Wu, Ting Li, Kang-Jian Yang, Li Cheng, Zu-Ping Zhou, Shi-Ming Pu, Wan-Hua Lin
Arylurea derivatives, an important class of small molecules, have received considerable attention in recent years due to their wide range of biological applications. Various molecular targeted agents with arylurea scaffold as potential enzyme/receptor inhibitors were constructed with the successful development of sorafenib and regorafenib. This review focuses on those arylureas possessing anti-cancer activities from 2010 to date. According to their different mechanisms of action, these arylureas are divided into the following six categories: (1) Ras/Raf/MEK/ERK signaling pathway inhibitors; (2) tumor angiogenesis inhibitors, their targets include vascular endothelial growth factor receptors (VEGFRs), fibroblast growth factor receptors (FGFRs), platelet-derived growth factor receptors (PDGFRs), epidermal growth factor receptors (EGFRs), insulin-like growth factor 1 receptor (IGF-1R), Fms-like tyrosine kinase 3 (FLT3), c-Kit, MET, and Smoothened (Smo); (3) PI3K/AKT/mTOR signaling pathway inhibitors; (4) cell cycle inhibitors, their targets include checkpoint kinases (Chks), cyclin-dependent kinases (CDKs), Aurora, SUMO activating enzyme 1 (SUMO E1), tubulin, and DNA; (5) tumor differentiation, migration, and invasion inhibitors, their targets include matrix metalloproteinases (MMPs), LIM kinase (Limk), nicotinamide phosphoribosyltransferase (Nampt), and histone deacetylase (HDAC); (6) arylureas from the rational modification of natural products...
July 7, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28137234/mycobacterial-dna-replication-as-a-target-for-antituberculosis-drug-discovery
#19
REVIEW
Renata Płocinska, Malgorzata Korycka-Machala, Przemyslaw Plocinski, Jaroslaw Dziadek
BACKGROUND: Mycobacterium tuberculosis (M. tuberculosis), the causative agent of tuberculosis, is a leading infectious disease organism, causing millions of deaths each year. This serious pathogen has been greatly spread worldwide and recent years have observed an increase in the number of multi-drug resistant and totally drug resistant M. tuberculosis strains (WHO report, 2014). The danger of tuberculosis becoming an incurable disease has emphasized the need for the discovery of a new generation of antimicrobial agents...
June 16, 2017: Current Topics in Medicinal Chemistry
https://www.readbyqxmd.com/read/28137239/targeted-theranostics-against-solid-cancer-using-metal-bond-milk-protein-and-aptamers
#20
REVIEW
Suman Chaudhary, Rupinder Kaur Kanwar, Jagat Rakesh Kanwar
Targeted therapeutics is a new generation therapy that can increase the efficacy of chemotherapeutic drugs, by facilitating site-specific delivery with minimum off-target effects. Amongst the targeted therapy, nucleic-acid based aptamers are increasingly gaining interest due to their small size, long shelf-life and ease in synthesis. Further, lactoferrin, a milk protein belonging to the transferrin family is now an established multi-functional iron-binding protein. Its applicability as an immunomodulator, antimicrobial and an anti-cancer agent has made this protein highly valuable...
June 7, 2017: Current Topics in Medicinal Chemistry
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