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Compounds of Natural Origin—Physicochemical and Biological Properties and Applications

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Biomaterials".

Deadline for manuscript submissions: 20 December 2024 | Viewed by 1201

Special Issue Editor


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Guest Editor
Department of Chemistry, Biology and Biotechnology, Faculty of Civil Engineering and Environmental Sciences, Bialystok University of Technology, Bialystok, Poland
Interests: physicochemical and biological research of natural compounds; molecular structure; antioxidant activity; antimicrobial activity; spectroscopic methods; thermal analysis; molecular modeling

Special Issue Information

Dear Colleagues,

Nature is very rich in natural compounds whose biological activity can benefit humans. Physicochemical analysis and testing of the biological activity of chemical compounds of plant origin allows us to find new active compounds that can be used as drugs, antimicrobial, antiviral, antioxidant, and other beneficial substances. In analyzing this type of compound, it is important to study the molecular structure and determine the relationship between the structure of chemical compounds and their biological action.

A useful tool in this type of research is molecular modeling. The use of programs for structure modeling and theoretical prediction of physicochemical and biological properties of chemical compounds significantly reduces research costs. It also allows for modeling the mechanisms of biological action of substances and determining their reactivity and many different properties, which are time-consuming to determine using in vitro methods.

Dr. Grzegorz Świderski
Guest Editor

Manuscript Submission Information

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Keywords

  • natural product
  • biological activity
  • antioxidant activity
  • antimicrobial properties
  • molecular modeling

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Published Papers (1 paper)

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Research

23 pages, 5133 KiB  
Article
Comparison of Physicochemical, Antioxidant, and Cytotoxic Properties of Caffeic Acid Conjugates
by Grzegorz Świderski, Ewelina Gołębiewska, Monika Kalinowska, Renata Świsłocka, Natalia Kowalczyk, Agata Jabłońska-Trypuć and Włodzimierz Lewandowski
Materials 2024, 17(11), 2575; https://doi.org/10.3390/ma17112575 - 27 May 2024
Cited by 2 | Viewed by 958
Abstract
Spectroscopic studies (FT-IR, Raman, 1H, and 13C NMR, UV-VIS) of caffeic acid (CFA) and its conjugates, i.e., caftaric acid (CTA), cichoric acid (CA), and cynarin (CY), were carried out. The antioxidant activity of these compounds was determined by a superoxide dismutase [...] Read more.
Spectroscopic studies (FT-IR, Raman, 1H, and 13C NMR, UV-VIS) of caffeic acid (CFA) and its conjugates, i.e., caftaric acid (CTA), cichoric acid (CA), and cynarin (CY), were carried out. The antioxidant activity of these compounds was determined by a superoxide dismutase (SOD) activity assay and the hydroxyl radical (HO) inhibition assay. The cytotoxicity of these compounds was performed on DLD-1 cell lines. The molecules were theoretically modeled using the B3LYP-6-311++G(d,p) method. Aromaticity indexes (HOMA, I6, BAC, Aj), HOMO and LUMO orbital energies and reactivity descriptors, NBO electron charge distribution, EPS electrostatic potential maps, and theoretical IR and NMR spectra were calculated for the optimized model systems. The structural features of these compounds were discussed in terms of their biological activities. Full article
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