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Discovery of Anti-Inflammatory Compounds
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Discovery of Anti-Inflammatory Compounds

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (1 November 2022) | Viewed by 6164

Special Issue Editor

Dr. Ritesh Raju

E-Mail Website
Guest Editor
School of Medicine, Western Sydney University, Penrith, Australia
Interests: natural products chemistry; anti-inflammatory; organic chemistry; pharmacognosy; drug discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Inflammation, characterised by the four key cardinal features of inflammation are pain, redness, warmth and swelling, was one of the earliest recognised and defined disease entities. The pioneer drug acetylsalicylic acid, isolated from the willow bark (Salix) in the 1880s, received fame as being the gold standard in treating inflammatory conditions. However, the therapeutic effects were later overshadowed by its adverse gastrointestinal effects which prevented its long-term use as an anti-inflammatory agent. Since then there has been a continuously growing interest in the discovery of molecules that would surpass the anti-inflammatory properties of acetylsalicylic acid, with a focus on minimum adverse effects on the human body. Plants have long been a promising source of anti-inflammatory molecules, showcased by a remarkable breadth of structural scaffolds and chemical diversity exhibiting potential for the discovery of a new generation of anti-inflammatory molecules. In addition, the mechanism of action of anti-inflammatory molecules has been of a growing interest and may lead to the possibility of a renewed interest in old plant natural products. This Special Issue plans on capturing research papers that have a focus on reporting the discovery of new/novel plant natural products and/or the discovery of the molecular targets of new/novel anti-inflammatory agents.

Dr. Ritesh Raju
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 submissions that pass pre-check are 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 semimonthly 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 2700 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

  • Anti-inflammatory
  • Drug discovery
  • Organic chemistry
  • Natural products chemistry

Published Papers (3 papers)

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Research

9 pages, 1327 KiB  
Article
Phenylpropanoid Derivatives from the Tuber of Asparagus cochinchinensis with Anti-Inflammatory Activities
by Jingyi Yue, Nan Zhang, Tao Xu, Jutao Wang, Baixiang Cai and Yang Yu
Molecules 2022, 27(22), 7676; https://doi.org/10.3390/molecules27227676 - 08 Nov 2022
Cited by 3 | Viewed by 1195
Abstract
Three undescribed phenylpropanoid derivatives, including two new bibenzyl constituents (1–2), one new stilbene constituent (3), together with five known compounds stilbostemin F (4), dihydropinosylvin (5), 2-(4-hydroxyphenyl)ethyl benzoate (6), 1-(4-hydroxybenzoyl)ethanone (7 [...] Read more.
Three undescribed phenylpropanoid derivatives, including two new bibenzyl constituents (1–2), one new stilbene constituent (3), together with five known compounds stilbostemin F (4), dihydropinosylvin (5), 2-(4-hydroxyphenyl)ethyl benzoate (6), 1-(4-hydroxybenzoyl)ethanone (7), and 4-hydroxy-3-prenylbenzoic acid (8), were isolated from the tuber of Asparagus cochinchinensis. The structures of 1–8 were elucidated according to UV, IR, HRMS, 1D and 2D-NMR methods together with the published literature. All of the isolated compounds were assessed for anti-inflammatory activity by acting on lipopolysaccharide (LPS)-induced RAW 264.7 macrophage cells in vitro. The results showed that compounds 2 and 5 were found to inhibit the production of nitric oxide (NO) with the IC50 value of 21.7 and 35.8 µM, respectively. In addition, further studies found that compound 2 demonstrated concentration-dependent suppression of the protein expression of iNOS and exerted anti-inflammatory activity via the NF-κB signalling pathway. The present data suggest that phenylpropanoid derivatives from the tuber of A. cochinchinensis might be used as a potential source of natural anti-inflammatory agents. Full article
(This article belongs to the Special Issue Discovery of Anti-Inflammatory Compounds)
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8 pages, 1529 KiB  
Article
Tristaenone A: A New Anti-Inflammatory Compound Isolated from the Australian Indigenous Plant Tristaniopsis laurina
by Shintu Mathew, Xian Zhou, Gerald Münch, Francis Bodkin, Matthew Wallis, Feng Li and Ritesh Raju
Molecules 2022, 27(19), 6592; https://doi.org/10.3390/molecules27196592 - 05 Oct 2022
Cited by 3 | Viewed by 1491
Abstract
Inspired by ethnopharmacological knowledge, we conducted a bioassay-guided fractionation of the leaves of Tristaniopsis laurina which led to the discovery of a new anti-inflammatory compound, tristaenone A (1). The structure was elucidated by detailed spectroscopic data analysis, and the absolute configuration [...] Read more.
Inspired by ethnopharmacological knowledge, we conducted a bioassay-guided fractionation of the leaves of Tristaniopsis laurina which led to the discovery of a new anti-inflammatory compound, tristaenone A (1). The structure was elucidated by detailed spectroscopic data analysis, and the absolute configuration was established using X-ray crystallography analysis. Tristaenone A (1) suppressed LPS and IFN-γ-induced NO, TNF-α and IL-6 production in RAW 264.7 cells with IC50 values of 37.58 ± 2.45 μM, 80.6 ± 5.82 μM and 125.65 ± 0.34 μM, respectively. It also inhibited NF-κB nuclear translocation by 52.93 ± 14.14% at a concentration of 31.85 μM. Full article
(This article belongs to the Special Issue Discovery of Anti-Inflammatory Compounds)
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Graphical abstract

20 pages, 6887 KiB  
Article
Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives
by Katharigatta N. Venugopala, Sandeep Chandrashekharappa, Christophe Tratrat, Pran Kishore Deb, Rahul D. Nagdeve, Susanta K. Nayak, Mohamed A. Morsy, Pobitra Borah, Fawzi M. Mahomoodally, Raghu Prasad Mailavaram, Mahesh Attimarad, Bandar E. Aldhubiab, Nagaraja Sreeharsha, Anroop B. Nair, Osama I. Alwassil, Michelyne Haroun, Viresh Mohanlall, Pottathil Shinu, Rashmi Venugopala, Mahmoud Kandeel, Belakatte P. Nandeshwarappa and Yasmine F. Ibrahimadd Show full author list remove Hide full author list
Molecules 2021, 26(12), 3550; https://doi.org/10.3390/molecules26123550 - 10 Jun 2021
Cited by 12 | Viewed by 2716
Abstract
The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In this study, the [...] Read more.
The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In this study, the design and synthesis of a new series of 7-methoxy indolizines as bioisostere indomethacin analogues (5a–e) were carried out and evaluated for COX-2 enzyme inhibition. All the compounds showed activity in micromolar ranges, and the compound diethyl 3-(4-cyanobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5a) emerged as a promising COX-2 inhibitor with an IC50 of 5.84 µM, as compared to indomethacin (IC50 = 6.84 µM). The molecular modeling study of indolizines indicated that hydrophobic interactions were the major contribution to COX-2 inhibition. The title compound diethyl 3-(4-bromobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5c) was subjected for single-crystal X-ray studies, Hirshfeld surface analysis, and energy framework calculations. The X-ray diffraction analysis showed that the molecule (5c) crystallizes in the monoclinic crystal system with space group P 21/n with a = 12.0497(6)Å, b = 17.8324(10)Å, c = 19.6052(11)Å, α = 90.000°, β = 100.372(1)°, γ = 90.000°, and V = 4143.8(4)Å3. In addition, with the help of Crystal Explorer software program using the B3LYP/6-31G(d, p) basis set, the theoretical calculation of the interaction and graphical representation of energy value was measured in the form of the energy framework in terms of coulombic, dispersion, and total energy. Full article
(This article belongs to the Special Issue Discovery of Anti-Inflammatory Compounds)
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