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Medicinal Chemistry
Wednesday, November 2, 2016
Highlighted Article: Virtual Screening for Cholesterol Absorption Inhibitors
Virtual Screening for Cholesterol Absorption Inhibitors
Author(s):
Lidan Sun, Hai Qian and Wenlong Huang Pages 2 - 12 ( 11 )
Abstract:
Background: Cholesterol, derived from two different sources of endogenous synthesis and diet, is essential for the growth and maintenance of mammalian cells. However, elevated level of serum cholesterol is among the associated risk factors for the coronary heart disease. Statins can reduce endogenous sterol synthesis by inhibiting HMG-CoA reductase, whereas cholesterol absorption inhibitors, such as ezetimibe, can block cholesterol uptake from dietary sources by blocking Niemann- Pick C1-like 1 (NPC1L1).
Objective: The present review focuses on the main research progress of cholesterol absorption inhibitors, the structure of NPC1L1 and discovery of novel chemical entities by virtual screening.
Conclusion: Studies on the structure-activity relationship reveal that azetidinone is important to maintain activity in azetidinone derivatives and the novel heterocyclic compounds with replacement of β-lactam scaffold by oxazolidinone also show similar activity as ezetimibe. Moreover, virtual screening is a computer-aided molecular design tool to propose novel cholesterol absorption inhibitors.
Keywords:
Cholesterol absorption inhibitors, ezetimibe, NPC1L1, virtual screening.
Affiliation:
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, China.
For More Information please Visit Our Website Medicinal Chemistry
Tuesday, October 25, 2016
Most Accessed Article: Synthesis, Molecular Docking Study, and Cytotoxic Activity of 3,4-diaryl-5-(4-pyridinyl)-1,2,4-oxadiazole
Synthesis, Molecular Docking
Study, and Cytotoxic Activity of 3,4-diaryl-5-(4-pyridinyl)-1,2,4-oxadiazole
Author(s):
Bita Zareian, Sajad Ghadbeighi, Amirali Amirhamzeh, Seyed N.
Ostad, Abbas Shafiee and Mohsen AminiPages 394-401 (8)
Abstract:
Background: Triaryl oxadiazoles have been proven to be useful agents against various types of cancer cell lines. Nevertheless, their mechanism of action is not fully understood.
Objective: Synthesis and cytotoxic activity of a new group of
triaryl oxadiazoles; 3,4-diaryl-5-(4- pyridinyl)-1,2,4-oxadiazole derivatives,
will be discussed in this study. Their cytotoxic activity has been examined in
4 different cell lines by MTT method.
Method: 3,4-Diaryl-5-(4-pyridinyl)-1,2,4-oxadiazole derivatives
were prepared from condensation of different imines with 4-substituted
benzohydroxyiminoyl chlorides. The antiproliferative activity of the final
compounds was examined in MCF-7, AGS, HT-29 and NIH3T3 cell lines by MTT assay,
using different concentrations of each compound to determine their IC50. The
cytotoxic activity of paclitaxel, doxorubicin and combretastatin A-4 was
evaluated as positive controls.
Results: All compounds demonstrated cytotoxic activity in
mentioned cell lines, in a dose dependent manner. Among all, 6d-2 showed the
highest cytotoxicity in AGS and MCF-7 cell lines with IC50 19.84 and 9.91
respectively and 6c-2 was the most potent in HT-29 with IC50 27.60. In
addition, 6c-1, one of the most potent compounds, showed an interestingly low
cytotoxic effect on NIH3T3 cell line, which is a noncancerous cell line. In the
molecular modeling study, all compounds had comparable binding energy in
Colchicine binding site and 6c-2 had the best-predicted binding energy.
Conclusion: Together, our data suggest that the synthesized
compounds have a partially selective mechanism of action against cancer cells
and possibly a lower toxic effect on normal cells, making them interesting
candidates for the synthesis of new anticancer agents.
Keywords:
1, 2, 4-Oxadiazole, anticancer, cytotoxicity, molecular docking,
tubulin.
Affiliation:
Department of Medicinal Chemistry, Faculty of Pharmacy, Tehran
University of Medical Sciences, Tehran, Iran.
For More Information Please Visit Our Website Medicinal Chemistry
Wednesday, October 19, 2016
Podcast on Synthesis and Biological Evaluation of the Salicylamide and Salicylic Acid Derivatives as Anti-Estrogen Agents
Podcast on Synthesis and Biological Evaluation of the Salicylamide and Salicylic Acid Derivatives as Anti-Estrogen Agents
Wednesday, October 5, 2016
New Issue ::: Current Medicinal Chemistry, 23 Issue 23
Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews and guest edited thematic issues written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
Articles from the journal Current Medicinal Chemistry, 23 Issue 23:
- Development of Anticancer Agents from Plant-Derived Sesquiterpene Lactones
- From Bone Marrow to Cardiac Atrial Appendage Stem Cells for Cardiac Repair: A Review
- The Use of Stilbene Scaffold in Medicinal Chemistry and Multi- Target Drug Design
- Nanomedicine for Intra-Articular Drug Delivery in Rheumatoid Arthritis
- Current Progresses and Trends in the Development of Progesterone Receptor Modulators
For details on the articles, please visit this link :: http://bit.ly/2bNbvVf
Courtesy by : https://benthamsciencepublishers.wordpress.com/2016/09/24/new-issue-current-medicinal-chemistry-23-issue-23/
Medicinal Chemistry, 12 Issue 5
Medicinal Chemistry a peer-reviewed journal, aims to cover all the latest outstanding developments in medicinal chemistry and rational drug design. The journal publishes original research, mini-review articles and guest edited thematic issues covering recent research and developments in the field. Articles are published rapidly by taking full advantage of Internet technology for both the submission and peer review of manuscripts. Medicinal Chemistry is an essential journal for all involved in drug design and discovery.
Articles from the journal Medicinal Chemistry, Volume 12, Issue 5:
- The Current Use of Mass Spectrometry in Combination with Oth er Separation Techniques in Drug Discovery Arena
- Chemosensitization of Prostate Carcinoma Cells with a Receptor-directed Smac Conjugate
- Preliminary Studies on the Activity of Mixed Polyphenol-Heterocyclic Systems Against B16-F10 Melanoma Cancer Cells
- Synthesis, Structural Characterization of a Novel Ferrocene Derivative and Preliminarily Anticancer Activity
- Cytotoxic Effects of Salvinorin A, A Major Constituent of Salvia divinorum
- Synthesis and Anti-thyroid Cancer Effect of Iodo-chrysin Derivatives
- In-Vitro Anticancer Evaluation and Docking Study of Novel Benzo[g] Quinazoline-sulfonamide Derivatives
- Chemical Composition and Inhibitory Effects of Hypericum brasiliense and H. connatum on Prolyl Oligopeptidase and Acetylcholinesterase Activities
- DNA Hybridization on Chitosan-Functionalized Silicon Substrate
- Mining ZINC Database to Discover Potential Phosphodiesterase 9 Inhibitors Using Structure-Based Drug Design Approach
- Antimicrobial and Anti-biofilm Activity of Thiourea Derivatives Bearing 3-amino-1H-1,2,4-triazole Scaffold
- Design, Synthesis and Antiproliferative Activity of Novel Benzothiazole Derivatives Conjugated with Semicarbazone Scaffold
For details on the articles, please visit this link :: http://bit.ly/2aERu39
courtesy by https://benthamsciencepublishers.wordpress.com/2016/08/16/new-issue-medicinal-chemistry-12-issue-5/
Highlighted Article Flyer for the journal “Current Topics in Medicinal Chemistry” Volume 16, Number 21
courtesy by https://benthamsciencepublishers.wordpress.com/2016/08/18/highlighted-article-flyer-for-the-journal-current-topics-in-medicinal-chemistry-3/
Mini-Reviews in Medicinal Chemistry, 16 Issue 12
The aim of Mini-Reviews in Medicinal Chemistry is to publish short reviews on the important recent developments in medicinal chemistry and allied disciplines.
The scope of Mini-Reviews in Medicinal Chemistry will cover all areas of medicinal chemistry including developments in rational drug design, synthetic chemistry, bioorganic chemistry, high-throughput screening, combinatorial chemistry, drug targets, and natural product research and structure-activity relationship studies.
Mini-Reviews in Medicinal Chemistry is an essential journal for every medicinal and pharmaceutical chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
Articles from the journal Mini-Reviews in Medicinal Chemistry, Volume 16 Issue 12:
- Cellular Oxidative/Antioxidant Balance in γ-Irradiated Brain: An Update
- Physiological Proteins in Therapeutics: A Current Review on Interferons
- Phytochemicals for the Management of Melanoma
- Hormetic Potential of Sulforaphane (SFN) in Switching Cells’ Fate Towards Survival or Death
- Recent Advances in Anti-inflammatory Potential of Pyridazinone Derivatives
- Glycosylation and Activities of Natural Products
For details on the articles, please visit this link :: http://bit.ly/2bHkHxd
courtesy by : https://benthamsciencepublishers.wordpress.com/2016/09/06/new-issue-mini-reviews-in-medicinal-chemistry-16-issue-12/
Current Medicinal Chemistry , 23 Issue 21
Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews and guest edited thematic issues written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
Articles from the journal Current Medicinal Chemistry , 23 Issue 21
- Update on Therapeutic Approaches for Rheumatoid Arthritis
- Current Trends on Antipsychotics: Focus on Asenapine
- Biosimilar Filgrastim in Autologous Peripheral Blood Hematopoietic Stem Cell Mobilization and Post-Transplant Hematologic Recovery
- G-Quadruplex Aptamers to Human Thrombin Versus Other Direct Thrombin Inhibitors: The Focus on Mechanism of Action and Drug Efficiency as Anticoagulants
- Human Tuberculosis. III. Current and Prospective Approaches in Anti-Tubercular Therapy
- Pompe Disease and Autophagy: Partners in Crime, or Cause and Consequence?
For details on the articles, please visit this link :: http://bit.ly/2bTRaly
courtesy by : https://benthamsciencepublishers.wordpress.com/2016/09/16/new-issue-current-medicinal-chemistry-23-issue-21/
Thursday, July 28, 2016
Synthesis of New Thiazolo[4,5-d]pyrimidines as Corticotropin Releasing Factor Modulators
Author(s):
Bhimanna Kuppast, Katerina Spyridaki, Christophina Lynch, Yueshan Hu, George Liapakis, Gareth E. Davies and Hesham FahmyPages 50-59 (10)
Abstract:
Corticotropin-releasing factor (CRF) is a neurohormone that plays a crucial role in integrating the body’s overall response to stress. It appears necessary and sufficient for the organism to mount functional, physiological and endocrine responses to stressors. CRF is released in response to various triggers such as chronic stress. The role of CRF and its involvement in these neurological disorders suggest that new drugs that can target the CRF function or bind to its receptors may represent a new development of neuropsychiatric medicines to treat various stress-related disorders including depression, anxiety and addictive disorders. Based on pharmacophore of the CRF1 receptor antagonists, a new series of thiazolo[4,5-d] pyrimidines were synthesized as Corticotropin-releasing factor (CRF) receptor modulators and the prepared compounds carry groups shown to produce optimum binding affinity to CRF receptors. Twenty two compounds were evaluated for their CRF1 receptor binding affinity in HEK 293 cell lines and two compounds 5o and 5s showed approximately 25% binding affinity to CRF1 receptors. Selected compounds (5c and 5f) were also evaluated for their effect on expression of genes associated with depression and anxiety disorders such as CRF1, CREB1, MAO-A, SERT, NPY, DatSLC6a3, and DBH and significant upregulation of CRF1 mRNA has been observed with compound 5c.
Keywords:
Thiazolo[4, 5-d]pyrimidines, corticotropin releasing factor, antalarmin, anxiety, depression.
Affiliation:
Department of Pharmaceutical Sciences, College of Pharmacy, South Dakota State University, Brookings, SD 57007, USA.
Graphical Abstract:
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Overview of Binding Free Energy Calculation Techniques for Elucidation of Biological Processes and for Drug Discovery
Author(s):
Takeshi Ashida and Takeshi KikuchiPages 248-253 (6)
Abstract:
The elucidation of the interactions between a protein and a ligand or proteins is a key issue for understanding of functional processes of various proteins, enzymes and receptors in biological organisms, system biology and drug design. One of the most important matters in these problems is the accurate estimation of binding free energy between a protein and a ligand or proteins. In the present review, we overview various techniques and introduce a new technique for estimation of binding free energy calculations. We also discuss possible ways to incorporate the effect of fect of solvent.
Keywords:
Binding free energy, Drug design, Biological processes, Free energy variational principle, Molecular dynamics simulations, Solvent model.
Affiliation:
Department of Bioinformatics, College of Life Sciences, Ritsumeikan University, 1-1-1 Nojihigashi, Kusatsu, Shiga 525-8577, Japan.
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Practical Application of Antidiabetic Efficacy of Lycium barbarum Polysaccharide in Patients with Type 2 Diabetes
Author(s):
Huizhen Cai, Fukang Liu, Pingguo Zuo, Guiling Huang, Zhixiu Song, Tingting Wang, Huixia Lu, Fei Guo, Chao Han and Guiju SunPages 383-390 (8)
Abstract:
Lycium barbarum polysaccharide (LBP) has traditionally been used in Chinese medicine as a chief ingredient of Lycium barbarum(wolf berry/goji berry) for the treatment of various diseases with the symptoms of frequent drinking and urination. This study was conducted as a randomized, controlled clinical trial. A total of 67 patients with type 2 diabetes (30 in control group and 37 in LBP group) were enrolled in this prospective, randomized, double-blind study (administration at 300mg/day body weight). In order to observe the hypoglycemic and lipid-lowering activity of LBP in patients with type 2 diabetes after dinner, various tests were conducted between control and LBP intervention groups in 3 months. Although, the study had small sample size and short follow-up, significant findings were observed. The results of our study indicated a remarkable protective effect of LBP in patients with type 2 diabetes. Serum glucose was found to be significantly decreased and insulinogenic index increased during OMTT after 3 months administration of LBP. LBP also increased HDL levels in patients with type 2 diabetes. It showed more obvious hypoglycemic efficacy for those people who did not take any hypoglycemic medicine compared to patients taking hypoglycemic medicines. This study showed LBP to be a good potential treatment aided-agent for type 2 diabetes.
Keywords:
Lycium barbarum polysaccharide, type 2 diabetes, glucose, lipids, cytokines.
Affiliation:
Key Laboratory of Environmental Medicine and Engineering of Ministry of Education, and Department of Nutrition and Food Hygiene, School of Public Health, Southeast University, Dingjia Qiao 87, Nanjing 210009, P.R. China.
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Long Term Stability Evaluation of Prostacyclin Released from Biomedical Device through Turbiscan Lab Expert
Author(s):
Christian Celia, Marcello Locatelli, Felisa Cilurzo, Donato Cosco, Emanuela Gentile, Daniela Scalise, Maria Carafa, Cinzia Anna Ventura, Mathias Fleury, Christelle Tisserand, Renato. C Barbacane, Massimo Fresta, Luisa Di Marzio and Donatella PaolinoPages 391-399 (9)
Abstract:
Therapeutic guidelines indicate prostacyclin as the first line of treatment in inflammation and vascular diseases. Prostacyclins prevent formation of the platelet plug involved in primary hemostasis by inhibiting platelet activation and, combined with thromboxane, are effective vasodilators in vascular damage.
Trans-Atlantic Inter-Society Consensus Document on Management of Peripheral Arterial Disease II guidelines indicates prostacyclins; in particular, Iloprost, as the first therapeutic option for treating peripheral arterial disease. However, therapeutic efficacy of Iloprost has witnessed several drawbacks that have occurred in patients receiving repeated weekly administration of the drug by intravenous infusions. Adverse reactions arose under perfusion with Iloprost for 6 h and patient compliance was drastically decreased. Biomedical devices could provide a suitable alternative to overcome these drawbacks. In particular, elastomeric pumps, filled with Iloprost isotonic solution, could slowly release the drug, thus decreasing its side effects, representing a valid alternative to hospitalization of patients affected by peripheral arterial disease. However, the home therapy treatment of patients requires long-term stability of Iloprost in solution-loaded elastomeric pumps.
The aim of this work was to investigate the long-term stability of Iloprost isotonic solution in biomedical devices using Turbiscan technology. Turbiscan Lab Expert (L’Union, France) predicts the long-term stability of suspensions, emulsions and colloidal formulations by measuring backscattering and transmission of particulates dispersed in solution. The formulations were evaluated by measuring the variation of physical-chemical properties of colloids and suspensions as a function of backscattering and transmission modifications. In addition, the release profile of Iloprost isotonic solution from the biomedical device was evaluated.
Keywords:
Critical limb ischemia, disposable infusion pumps, endoprost, high performance liquid chromatography, prostacyclin, Turbiscan technology.
Affiliation:
Department of Pharmacy, University “G. d'Annunzio” of Chieti - Pescara, Via dei Vestini 31, 66100 Chieti, Italy
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