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Natural Products as Inspirations for the Development of Potential Therapeutic Agents—Second Edition

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

Deadline for manuscript submissions: 30 June 2025 | Viewed by 2524

Special Issue Editors

Dr. Zhenxing Zou

E-Mail Website
Guest Editor
Xiang Ya School of Pharmaceutical Sciences, Central South University, Changsha, China
Interests: natural products; phytochemistry; structure elucidation; biological activities
Special Issues, Collections and Topics in MDPI journals
Dr. Haibo Tan

E-Mail Website
Guest Editor
South China Botanical Garden, Chinese Academy of Sciences, Guangzhou, China
Interests: total synthesis of natural products; phytochemistry; discovery of new metabolites; biological activities; structure–activity relationships

Special Issue Information

Dear Colleagues,

Natural products are important sources of inspiration for new drug research and development. Natural products, possessing diverse properties in terms of their structural skeleton and stereochemistry, share a class of dominant structures formed after long-term evolution in nature, which have drawn tremendous efforts due to multi-target coupling with lower toxicity and side effects than synthetic drugs. According to statistics, over 62% of approved small-molecule drugs have been derived from natural products or their derivatives over the past four decades or so. The purpose of this Special Issue of Molecules is to invite more researchers in natural medicinal chemistry to present their original research detailing isolation, structural elucidation, as well as the pharmacological investigation of new metabolites from plants and microorganisms; new bioactivities of known natural products; and structure–activity relationships (SAR) of natural products. Review articles on plant and microorganism bioactive metabolites are also welcome.

Dr. Zhenxing Zou
Dr. Haibo Tan
Guest Editors

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

  • natural products
  • secondary metabolites
  • isolation and identification of natural products
  • structure–activity relationship
  • biological

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Published Papers (2 papers)

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Research

21 pages, 2760 KiB  
Article
Essential Oil of Lippia origanoides Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking
by Antônio Quaresma da Silva Júnior, Gabriela dos Santos Rodrigues, Adenilson de Sousa Barroso, Pablo Luis Baia Figueiredo, Francisco Paiva Machado, Mikaela Amaral Ferreira, Caio Pinho Fernandes, Gabriela B. dos Santos and Rosa Helena V. Mourão
Molecules 2025, 30(7), 1554; https://doi.org/10.3390/molecules30071554 - 31 Mar 2025
Viewed by 259
Abstract
This study investigates the therapeutic potential of Lippia origanoides essential oil (LOEO) in neurological and pharmaceutical applications. The chemical composition of LOEO was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing major constituents, such as carvacrol, thymol, and γ-gurjunene, known for their antioxidant and antimicrobial [...] Read more.
This study investigates the therapeutic potential of Lippia origanoides essential oil (LOEO) in neurological and pharmaceutical applications. The chemical composition of LOEO was analyzed using gas chromatography–mass spectrometry (GC-MS), revealing major constituents, such as carvacrol, thymol, and γ-gurjunene, known for their antioxidant and antimicrobial properties. LOEO demonstrated significant acetylcholinesterase (AChE)-inhibitory activity, particularly in a nanoformulation that enhances bioavailability and stability. Additionally, the major constituent carvacrol, when tested in isolation, also exhibited AChE-inhibitory activity comparable to that of the nanoformulation. Molecular docking analysis indicated strong binding affinities between LOEO compounds and AChE, supporting its therapeutic potential for neurodegenerative diseases like Alzheimer’s. Additionally, in silico pharmacokinetic predictions revealed favorable absorption and blood–brain barrier penetration profiles for key constituents. Despite promising results, this study acknowledges the need for in vivo validation and long-term stability assessments of the nanoformulation. Future research should focus on pharmacodynamic studies and evaluating the oil’s effectiveness in animal models. These findings highlight LOEO as a valuable candidate for developing natural therapies for neurodegenerative diseases. Full article
(This article belongs to the Special Issue Natural Products as Inspirations for the Development of Potential Therapeutic Agents—Second Edition)
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15 pages, 733 KiB  
Article
Labdanum Resin from Cistus ladanifer L. as a Source of Compounds with Anti-Diabetic, Neuroprotective and Anti-Proliferative Activity
by David F. Frazão, Carlos Martins-Gomes, Teresa Sosa Díaz, Fernanda Delgado, José C. Gonçalves and Amélia M. Silva
Molecules 2024, 29(10), 2222; https://doi.org/10.3390/molecules29102222 - 9 May 2024
Cited by 3 | Viewed by 1806
Abstract
Labdanum resin or “gum” can be obtained from Cistus ladanifer L. by two different extraction methods: the Zamorean and the Andalusian processes. Although its main use is in the fragrance and perfumery sectors, ethnobotanical reports describe its use for medicinal purposes in managing [...] Read more.
Labdanum resin or “gum” can be obtained from Cistus ladanifer L. by two different extraction methods: the Zamorean and the Andalusian processes. Although its main use is in the fragrance and perfumery sectors, ethnobotanical reports describe its use for medicinal purposes in managing hyperglycemia and mental illnesses. However, data concerning the bioactivities and pharmacological applications are scarce. In this work, it was found that the yield of labdanum resin extracted by the Andalusian process was 25-fold higher than the Zamorean one. Both resins were purified as absolutes, and the Andalusian absolute was purified into diterpenoid and flavonoid fractions. GC-EI-MS analysis confirmed the presence of phenylpropanoids, labdane-type diterpenoids, and methylated flavonoids, which are already described in the literature, but revealed other compounds, and showed that the different extracts presented distinct chemical profile. The potential antidiabetic activity, by inhibition of α-amylase and α-glucosidase, and the potential neuroprotective activity, by inhibition of acetylcholinesterase, were investigated. Diterpenoid fraction produced the higher α-amylase inhibitory effect (~30% and ~40% at 0.5 and 1 mg/mL, respectively). Zamorean absolute showed the highest α-glucosidase inhibitory effect (~14% and ~24%, at 0.5 and 1 mg/mL, respectively). Andalusian absolute showed the highest acetylcholinesterase inhibitory effect (~70% and ~75%, at 0.5 and 1 mg/mL, respectively). Using Caco-2 and HepG2 cell lines, Andalusian absolute and its purified fractions showed moderate cytotoxic/anti-proliferative activity at 24 h exposure (IC50 = 45–70 µg/mL, for Caco-2; IC50 = 60–80 µg/mL, for HepG2), whereas Zamorean absolute did not produce cytotoxicity (IC50 ≥ 200.00 µg/mL). Here we show, for the first time, that labdanum resin obtained by the Andalusian process, and its fractions, are composed of phytochemicals with anti-diabetic, neuroprotective and anti-proliferative potential, which are worth investigating for the pharmaceutical industry. However, toxic side-effects must also be addressed when using these products by ingestion, as done traditionally. Full article
(This article belongs to the Special Issue Natural Products as Inspirations for the Development of Potential Therapeutic Agents—Second Edition)
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