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Molecular Insights into Bioactive Compounds from Agro-Industrial Waste Biomass
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Molecular Insights into Bioactive Compounds from Agro-Industrial Waste Biomass

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".

Deadline for manuscript submissions: 20 November 2025 | Viewed by 3572

Special Issue Editors

Dr. Ana Lima

E-Mail Website
Guest Editor
Institute of Agricultural and Environmental Research and Technology (IITAA), University of the Azores, 9700-042 Angra do Heroísmo, Terceira, Azores, Portugal
Interests: essential oils; plant secondary metabolites; chromatographic techniques; biological activities
Prof. Dr. Elisabete Maria de Castro Lima

E-Mail Website
Guest Editor
Department of Physics, Chemistry and Engineering (DPCE) and Institute of Agricultural and Environmental Research and Technology (IITAA), University of Azores, 9500-321 Ponta Delgada, São Miguel, Azores, Portugal
Interests: organic chemistry; natural products; phytochemistry; essential oils; biological activities
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In modern times, industrial processes have led to the generation of numerous by-products, resulting in both economic and environmental challenges. However, it is essential to recognize that these waste materials hold significant potential. Apart from containing antioxidant compounds, they also harbor a wealth of fascinating chemical substances with immense value, also known as bioactive compounds. This Special Issue is devoted to delving into the molecular intricacies of these compounds, advancing beyond mere mixture studies to a nuanced understanding of individual components and their biological activities. Our objective is to harness the full spectrum of their value, fostering innovative applications across pharmaceuticals, food science, nutraceuticals, and cosmetics, thereby bolstering the sustainability of these industries and aligning with the circular economy principles enshrined in the 2030 Agenda's "zero waste" aspirations.

We cordially invite researchers to contribute groundbreaking work that not only explores sophisticated extraction techniques for isolating these elusive bioactive molecules from agro-industrial waste biomass, but also delves into their molecular characterization and functional validation. We emphasize the importance of moving beyond basic component analysis to in-depth studies that elucidate the mechanisms underpinning their antioxidant, antimicrobial, or other health-promoting properties. By conducting both in vitro and in vivo experiments, we aim to bridge the gap between fundamental research and practical applications, ensuring that these discoveries translate into tangible benefits for society. Potential topics include, but are not limited to, the following:

  • Molecular characterization and purification of bioactive compounds from plant-derived waste;
  • Elucidation of bioactive compound mechanisms via advanced spectroscopic and biochemical techniques;
  • In vitro and in vivo assessment of the pharmacological, nutraceutical, and cosmetic potential of isolated bioactive molecules;

Novel strategies for enhancing the bioavailability and stability of bioactive compounds for application in various industries. 

Dr. Ana Lima
Prof. Dr. Elisabete Maria de Castro Lima
Guest Editors

Manuscript Submission Information

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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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • by-product
  • biocompound
  • bioactivity
  • component analysis
  • in vitro/in vivo experiments
  • circular economy
  • sustainability
  • biomass residues valorization

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Published Papers (2 papers)

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14 pages, 1067 KiB  
Article
Anticholinesterase and Anti-Inflammatory Activities of the Essential Oils of Sawdust and Resin-Rich Bark from Azorean Cryptomeria japonica (Cupressaceae): In Vitro and In Silico Studies
by Ana Lima, Filipe Arruda, Jorge Frias, Tanner Wortham, Alexandre Janeiro, Tânia Rodrigues, José Baptista and Elisabete Lima
Int. J. Mol. Sci. 2024, 25(22), 12328; https://doi.org/10.3390/ijms252212328 - 17 Nov 2024
Cited by 1 | Viewed by 1121
Abstract
Alzheimer’s disease (AD), a multifactorial neurodegenerative disorder characterized by severe cognitive impairment, affects millions of people worldwide. However, AD therapy remains limited and mainly symptomatic-focused, with acetylcholinesterase (AChE) inhibitors being the major available drugs. Thus, AD is considered by the WHO as a [...] Read more.
Alzheimer’s disease (AD), a multifactorial neurodegenerative disorder characterized by severe cognitive impairment, affects millions of people worldwide. However, AD therapy remains limited and mainly symptomatic-focused, with acetylcholinesterase (AChE) inhibitors being the major available drugs. Thus, AD is considered by the WHO as a disorder of public health priority. Among several strategies that have been identified to combat AD, the use of natural multi-target drug ligands (MTDLs) appears to be a promising approach. In this context, we previously found that the essential oils (EOs), obtained via hydrodistillation, from Azorean Cryptomeria japonica sawdust (CJS) and resin-rich bark (CJRRB) were able to exert antioxidant activity via different mechanisms of action. Therefore, in the present work, these EOs were screened for their (i) in vitro anti-AChE and anti-butyrylcholinesterase (BChE) activities, evaluated by a modified Ellman’s assay; (ii) in vitro anti-inflammatory potential, using the albumin denaturation method; and (iii) toxicity against Artemia salina. The CJRRB–EO exhibited both anti-AChE and anti-BChE activities (IC50: 1935 and 600 µg/mL, respectively), whereas the CJS–EO only displayed anti-BChE activity, but it was 3.77-fold higher than that of the CJRRB–EO. Molecular docking suggested that α-pinene and ferruginol compounds contributed to the anti-AChE and anti-BChE activities, respectively. Moreover, the anti-inflammatory activity of the CJS–EO, the CJRRB–EO, and diclofenac was 51%, 70%, and 59% (at a concentration of only 2.21 μg/mL), respectively, with the latter two presenting comparable activity. Concerning the EOs’ potential toxicity, the CJRRB–EO exhibited a lower effect than the CJS–EO (LC50: 313 and 73 µg/mL, respectively). Overall, the EOs from C. japonica biomass residues, chiefly the CJRRB–EO, displayed antioxidant, anticholinesterase, and anti-inflammatory activities in a concentration-dependent manner. These properties demonstrate that these residues may be suitable natural MTDLs for AD complementary therapy when administered through aromatherapy, or, alternatively, could serve as low-cost sources of valuable ingredients, such as α-pinene. Full article
(This article belongs to the Special Issue Molecular Insights into Bioactive Compounds from Agro-Industrial Waste Biomass)
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26 pages, 2391 KiB  
Review
Spent Brewer’s Yeast Lysis Enables a Best Out of Waste Approach in the Beer Industry
by Livia Teodora Ciobanu, Diana Constantinescu-Aruxandei, Ileana Cornelia Farcasanu and Florin Oancea
Int. J. Mol. Sci. 2024, 25(23), 12655; https://doi.org/10.3390/ijms252312655 - 25 Nov 2024
Cited by 1 | Viewed by 1970
Abstract
Yeasts have emerged as an important resource of bioactive compounds, proteins and peptides, polysaccharides and oligosaccharides, vitamin B, and polyphenols. Hundreds of thousands of tons of spent brewer’s yeast with great biological value are produced globally by breweries every year. Hence, streamlining the [...] Read more.
Yeasts have emerged as an important resource of bioactive compounds, proteins and peptides, polysaccharides and oligosaccharides, vitamin B, and polyphenols. Hundreds of thousands of tons of spent brewer’s yeast with great biological value are produced globally by breweries every year. Hence, streamlining the practical application processes of the bioactive compounds recovered could close a loop in an important bioeconomy value-chain. Cell lysis is a crucial step in the recovery of bioactive compounds such as (glyco)proteins, vitamins, and polysaccharides from yeasts. Besides the soluble intracellular content rich in bioactive molecules, which is released by cell lysis, the yeast cell walls β-glucan, chitin, and mannoproteins present properties that make them good candidates for various applications such as functional food ingredients, dietary supplements, or plant biostimulants. This literature study provides an overview of the lysis methods used to valorize spent brewer’s yeast. The content of yeast extracts and yeast cell walls resulting from cellular disruption of spent brewer’s yeast are discussed in correlation with the biological activities of these fractions and resulting applications. This review highlights the need for a deeper investigation of molecular mechanisms to unleash the potential of spent brewer’s yeast extracts and cell walls to become an important source for a variety of bioactive compounds. Full article
(This article belongs to the Special Issue Molecular Insights into Bioactive Compounds from Agro-Industrial Waste Biomass)
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