Special Issue "Heterocyclic Chemistry in Drug Design"

A special issue of Scientia Pharmaceutica (ISSN 2218-0532).

Deadline for manuscript submissions: 28 February 2019

Special Issue Editor

Guest Editor
Prof. Dr. Roman B. Lesyk

Department of Pharmaceutical, Organic and Bioorganic Chemistry, Danylo Halytsky Lviv National Medical University, Pekarska str. 69, 79010 Lviv, Ukraine
Website | E-Mail
Interests: medicinal chemistry; drug design; heterocyclic chemistry; thiazolidinones; biological activity; SAR

Special Issue Information

Dear Colleagues,

Currently, the available chemical space includes more than 100 million organic compounds, mainly related to a limited set of classes and types. At the same time, modern drug design trends require the development of synthetic approaches to equally and diversely fill the chemical space as a source of drug-like structures. These trends have affected heterocyclic chemistry as the main "supplier" of drug-like molecules (all top 10 brand name small molecule drugs contain heterocyclic moieties), which stipulate strict requirements, both for bioactive compounds, as well as the methods of their synthesis. Thus, synthetic methods should provide a diversity of molecular architectonics, high chemo-, regio- and stereoselectivity, as well as atomic efficiency, in order to be ecologically and economically justified. The simultaneous implementation of these requirements is a rather difficult task, and research aimed at achieving a certain balance between them is relevant. As heterocycles are common fragments in the vast majority of marketed drugs, they obviously have a central role in modern drug design. It also should be mentioned that oxygen, sulfur, and, especially, nitrogen-containing rings, prevail among drug molecules.

In this Special Issue, we will focus on recent advances in heterocyclic chemistry in drug design.

Prof. Dr. Roman B. Lesyk
Guest Editor

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 850 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

  • heterocycles
  • diversity-oriented synthesis
  • regio-, stereo- and chemoselective synthesis
  • drug design
  • drug discovery
  • biological activity
  • SAR
  • lead generation

Published Papers (1 paper)

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Research

Open AccessArticle Molecular Conformations and Biological Activity of N-Hetaryl(aryl)alkyl-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamides
Sci. Pharm. 2018, 86(4), 50; https://doi.org/10.3390/scipharm86040050
Received: 10 November 2018 / Revised: 22 November 2018 / Accepted: 28 November 2018 / Published: 30 November 2018
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Abstract
The analysis of our previous studies on the search for synthetic analgesics among N-R-amides of bicyclic hetaryl-3-carboxylic acids has been performed; on its basis N-hetaryl(aryl)-alkyl-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamides have been selected as new study objects. The “one pot synthesis” of [...] Read more.
The analysis of our previous studies on the search for synthetic analgesics among N-R-amides of bicyclic hetaryl-3-carboxylic acids has been performed; on its basis N-hetaryl(aryl)-alkyl-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamides have been selected as new study objects. The “one pot synthesis” of these compounds, which is simple to perform and at the same time highly effective, has been offered. The method consists in the initial reaction of 4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylic acid and N,N′-carbonyldiimidazole in anhydrous N,N-dimethylformamide with the subsequent amidation of imidazolide formed with hetarylalkyl- or benzylamines in the same solvent. The peculiarities of 1H- and 13C-NMR spectra of the substances obtained, as well as their electrospray ionization liquid chromato-mass spectra are discussed. According to the results of the pharmacological tests carried out on the model of carrageenan inflammation it has been found that all without exception N-hetaryl(aryl)alkyl-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamides demonstrate the statistically significant analgesic and anti-inflammatory properties. Among the substances presented in this article analgesics and antiphlogistics, which increase the pain threshold and suppress the inflammatory response more effectively than Lornoxicam and Diclofenac in the same doses, have been identified. The molecular and crystal structures of a large group of the substances synthesized have been studied by X-ray diffraction analysis. Comparison of these data with the results of biological tests has revealed the fact of excellent correlation between the molecular conformations of N-hetaryl(aryl)alkyl-4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamides recorded in the crystal and the potency of their analgesic effect. N-Thiophen-2-ylmethyl- and N-4-methoxybenzyl-amides of 4-methyl-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxylic acid has shown a high analgesic and anti-inflammatory effect, therefore, they deserve more careful research. Full article
(This article belongs to the Special Issue Heterocyclic Chemistry in Drug Design)
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