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Special Issue "Design and Synthesis of Bioactive Compounds"

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: 15 May 2019

Special Issue Editor

Guest Editor
Prof. Dr. Pawel Kafarski

Department of Bioorganic Chemistry, Faculty of Chemistry, Wrocław University of Technology, Wrocław, Poland
Website | E-Mail
Interests: bioorganic chemistry; medicinal chemistry; drug design; amino acids and peptides; organophosphorus compounds; natural products

Special Issue Information

Dear Colleagues,

Many drugs available today were discovered by chance. Drug design is aiming to invent and develop novel biologically-active molecules (leads) for targets (e.g., enzyme, receptor, cell, tissues, etc.) in therapeutic areas. For developing such potential leads all known theoretical and experimental knowledge of the physiological targets is applied. Most commonly, these targets are enzymes and thus enzyme inhibitors account for many of the drugs on today’s market and cover many different therapeutic areas. This issue will cover all remaining techniques of drug design, including: rationale search for novel scaffold, computer-aided design, use of multicomponent chemistry, structural analogy approach, structural and topographical mimetics, multitarget drug design including drug repurposing, natural product-based drugs, etc.

Prof. Dr. Paweł Kafarski
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • in silico drug design (for example: pharmacophore, QSAR, CoMFA and CoMSIA), spectrophore technology, virtual high-throughput screening)
  • lead optimization
  • novel scaffolds
  • scaffold hopping
  • multicomponent chemistry
  • multitarget drugs
  • molecular topologies
  • topographical similarity
  • network-driven drug discovery
  • mimetics
  • modification of natural products

Published Papers (1 paper)

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Research

Open AccessArticle Design, Synthesis, and Antiproliferative Evaluation of Novel Coumarin/2-Cyanoacryloyl Hybrids as Apoptosis Inducing Agents by Activation of Caspase-Dependent Pathway
Molecules 2018, 23(8), 1972; https://doi.org/10.3390/molecules23081972
Received: 18 July 2018 / Revised: 29 July 2018 / Accepted: 31 July 2018 / Published: 7 August 2018
PDF Full-text (6172 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
A series of novel coumarin/2-cyanoacryloyl hybrids were prepared and evaluated for their in vitro anticancer activity. Among them, two analogs 5p and 5q showed promising antiproliferative activity against a panel of cancer cell lines, including A549, H157, HepG2, MCF7, MG63, and U2OS. Particularly,
[...] Read more.
A series of novel coumarin/2-cyanoacryloyl hybrids were prepared and evaluated for their in vitro anticancer activity. Among them, two analogs 5p and 5q showed promising antiproliferative activity against a panel of cancer cell lines, including A549, H157, HepG2, MCF7, MG63, and U2OS. Particularly, 5q showed the most potent activity towards MG63 cells with an IC50 value of 5.06 ± 0.25 μM. Morphological observation and 4,6-diamidino-2-phenylindole (DAPI) staining assay showed that 5q-treated MG63 cells displayed significant apoptosis characteristics. Moreover, flow cytometric detection of phosphatidylserine externalization revealed that 5q induced MG63 apoptosis in a dose-dependent manner. Real-time PCR and western blot assay further confirmed that 5q had strong effects to induce MG63 cell apoptosis, suggesting that the action was associated with down-regulation of the anti-apoptotic protein Bcl-2, upregulation of pro-apoptotic protein Bax, and induced activation of caspase-3, 8, and 9. The present results provide a new chemotype for anticancer drug development and continuing investigation into candidates with coumarin/2-cyanoacryloyl scaffold is warranted. Full article
(This article belongs to the Special Issue Design and Synthesis of Bioactive Compounds)
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Planned Papers

The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.

Article type: Article
Title: Synthesis and Evaluation of Novel Ligustrazine Derivatives as Multi-Targeted Inhibitors for the Treatment of Alzheimer's Disease
Author: Wei Yi
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