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Molecules, Volume 23, Issue 3

March 2018 - 199 articles

Cover Story: The Cu2+ complex of dipicolylamine (DPA)-modified β-cyclodextrin (CyD) selectively recognized ATP over other phosphoric acid derivatives in water. The NMR analyses suggested that the specific ATP selectivity was based on multi-point recognition including the host–guest interaction between the adenine moiety of ATP and the CyD cavity, and coordination bond of phosphoric moieties to the Cu2+–DPA complex site. View this paper
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Articles (199)

  • Article
  • Open Access
17 Citations
5,650 Views
17 Pages

Feature-Based and String-Based Models for Predicting RNA-Protein Interaction

  • Donald Adjeroh,
  • Maen Allaga,
  • Jun Tan,
  • Jie Lin,
  • Yue Jiang,
  • Ahmed Abbasi and
  • Xiaobo Zhou

In this work, we study two approaches for the problem of RNA-Protein Interaction (RPI). In the first approach, we use a feature-based technique by combining extracted features from both sequences and secondary structures. The feature-based approach e...

  • Article
  • Open Access
13 Citations
6,647 Views
19 Pages

Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors

  • Alan Jiang,
  • Qiufeng Liu,
  • Ruifeng Wang,
  • Peng Wei,
  • Yang Dai,
  • Xin Wang,
  • Yechun Xu,
  • Yuchi Ma,
  • Jing Ai and
  • Jingkang Shen
  • + 2 authors

Fibroblast growth factor receptors (FGFRs), a subfamily of receptor tyrosine kinases, are aberrant in various cancer types, and considered to be promising targets for cancer therapy. We started with a weak-active compound that was identified from our...

  • Article
  • Open Access
23 Citations
4,736 Views
11 Pages

In this manuscript, we combined a search in the Cambridge Structural Database (CSD) and ab initio calculations (RI-MP2/def2-TZVPD level of theory) to analyze the ability of trisulphide and triselenide moieties to establish chalcogen ‘like-like’ inter...

  • Article
  • Open Access
16 Citations
5,855 Views
8 Pages

Hyperjaponol H, A New Bioactive Filicinic Acid-Based Meroterpenoid from Hypericum japonicum Thunb. ex Murray

  • Rongrong Wu,
  • Zijun Le,
  • Zhenzhen Wang,
  • Shuying Tian,
  • Yongbo Xue,
  • Yong Chen,
  • Linzhen Hu and
  • Yonghui Zhang

Hyperjaponol H (1), a new filicinic acid-based meroterpenoid, with a 6/6/10 ring system trans-fused by hetero-Diels–Alder cycloaddition between a germacrane sesquiterpenoid and a filicinic acid moiety, was isolated from aerial parts of Hypericum japo...

  • Article
  • Open Access
15 Citations
8,149 Views
15 Pages

A Greener and Efficient Method for Nucleophilic Aromatic Substitution of Nitrogen-Containing Fused Heterocycles

  • Joana F. Campos,
  • Mohammed Loubidi,
  • Marie-Christine Scherrmann and
  • Sabine Berteina-Raboin

A simple and efficient methodology for the nucleophilic aromatic substitution of nitrogen-containing fused heterocycles with interesting biological activities has been developed in an environmentally sound manner using polyethylene glycol (PEG-400) a...

  • Review
  • Open Access
135 Citations
12,581 Views
21 Pages

Thiazoles and Thiazolidinones as COX/LOX Inhibitors

  • Konstantinos Liaras,
  • Maria Fesatidou and
  • Athina Geronikaki

Inflammation is a natural process that is connected to various conditions and disorders such as arthritis, psoriasis, cancer, infections, asthma, etc. Based on the fact that cyclooxygenase isoenzymes (COX-1, COX-2) are responsible for the production...

  • Feature Paper
  • Article
  • Open Access
26 Citations
6,042 Views
19 Pages

Novel Semisynthetic Derivatives of Bile Acids as Effective Tyrosyl-DNA Phosphodiesterase 1 Inhibitors

  • Oksana V. Salomatina,
  • Irina I. Popadyuk,
  • Alexandra L. Zakharenko,
  • Olga D. Zakharova,
  • Dmitriy S. Fadeev,
  • Nina I. Komarova,
  • Jóhannes Reynisson,
  • H. John Arabshahi,
  • Raina Chand and
  • Konstantin P. Volcho
  • + 2 authors

An Important task in the treatment of oncological and neurodegenerative diseases is the search for new inhibitors of DNA repair system enzymes. Tyrosyl-DNA phosphodiesterase 1 (Tdp1) is one of the DNA repair system enzymes involved in the removal of...

  • Article
  • Open Access
14 Citations
5,343 Views
6 Pages

Anticancer Phenolics from Dryopteris fragrans (L.) Schott

  • Zhen-Dong Liu,
  • Dan-Dan Zhao,
  • Shuai Jiang,
  • Bei Xue,
  • Yan-Long Zhang and
  • Xiu-Feng Yan

Cancer is one of the most major diseases that threatens human health and life. The aim of this work was to obtain novel anticancer molecules from D. fragrans, a kind of medicinal plant. The structure of the new compound was identified using spectrosc...

  • Review
  • Open Access
157 Citations
27,049 Views
16 Pages

Transdermal and Topical Drug Administration in the Treatment of Pain

  • Wojciech Leppert,
  • Malgorzata Malec–Milewska,
  • Renata Zajaczkowska and
  • Jerzy Wordliczek

The comprehensive treatment of pain is multidimodal, with pharmacotherapy playing a key role. An effective therapy for pain depends on the intensity and type of pain, the patients’ age, comorbidities, and appropriate choice of analgesic, its dose and...

  • Article
  • Open Access
20 Citations
7,197 Views
18 Pages

Synthesis of Nanometer Sized Bis- and Tris-trityl Model Compounds with Different Extent of Spin–Spin Coupling

  • J. Jacques Jassoy,
  • Andreas Meyer,
  • Sebastian Spicher,
  • Christine Wuebben and
  • Olav Schiemann

Tris(2,3,5,6-tetrathiaaryl)methyl radicals, so-called trityl radicals, are emerging as spin labels for distance measurements in biological systems based on Electron Paramagnetic Resonance (EPR). Here, the synthesis and characterization of rigid model...

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Molecules - ISSN 1420-3049