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Advances in Phytochemicals: Biological Activities and Applications

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A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Bioorganic Chemistry and Medicinal Chemistry".

Deadline for manuscript submissions: 31 August 2026 | Viewed by 2718

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Prof. Dr. Mohammed Kara

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Guest Editor

Laboratory of Biotechnology and Conservation and Valorization of Natural Resources (LBCVRN) (ex LBPRN), Sidi Mohamed Ben Abdellah University, Fez 30000, Morocco
Interests: natural product; polyphenols; antioxidants; vegetable oils; oxidation; antioxidant activity; antimicrobial activity; phytochemical
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Dear Colleagues,

Plants are a remarkable source of chemicals and produce a wide variety of bioactive compounds known as secondary metabolites. These compounds play crucial roles in plant defense, communication, and adaptation to their environment. They contribute to a plant’s aroma, color, taste, and resistance to pathogens, herbivores, and environmental stressors.

Isolating and characterizing secondary plant metabolites is a key area of research in natural product chemistry. These compounds have attracted immense interest in various fields, including the following:

Pharmaceuticals and medicine: antibiotics, anticancer agents, anti-inflammatory and analgesic agents, etc.
Agriculture: pesticides, herbicides, plant growth regulators, biological control agents, etc.
Food industry: flavoring agents, preservatives, etc.
Cosmetics and personal care: perfumes, skincare, dyes, etc.
Environmental applications: bioremediation, allelopathy, etc.

This Special Issue provides a platform for researchers to publish their findings on in vitro, in vivo, and in silico studies of secondary metabolites, including their isolation and characterization and their applications across various fields.

Prof. Dr. Mohammed Kara
Guest Editor

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Keywords

plants
phytochemicals
natural compounds
molecular biology
antibiotics
anticancer

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Research

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30 pages, 5639 KB

Open AccessArticle

Antioxidant and Anticancer Potentials of Apple Peel and Fruit Extracts: A Combined Docking and Chemical Composition Study

by Ayla Hançer, Gülşen Güçlü, Ömer Kayır, Serkan Kapancık, Esra Uçar and Burak Tüzün

Curr. Issues Mol. Biol. 2026, 48(4), 343; https://doi.org/10.3390/cimb48040343 - 25 Mar 2026

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Abstract

The apple (Malus domestica Borkh.) is one of the most widely consumed fruits worldwide due to its pleasant sensory properties and rich phytochemical composition. Therefore, the present study aimed to comprehensively investigate the chemical composition, antioxidant activity, anticancer effects, and molecular interactions of peel and pulp extracts of the Hünkar apple cultivar collected from different locations, using a combined experimental and computational strategy. These factors had a big effect on the extracts’ phenolic composition and biological activity. Moreover, the anticancer results were corroborated by molecular docking analyses, which offered further understanding of the interactions between bioactive compounds and cancer-associated target proteins. This integrative approach underscores the impact of both biological and methodological variables on the antioxidant and anticancer properties of apple-derived extracts, reinforcing their potential as natural sources of bioactive compounds. Cytotoxic activity against HT-22 and C6 cell lines was evaluated using the MTT assay, showing dose- and time-dependent antiproliferative effects. Apple extracts exhibited anticancer effects that were dependent on dosage and duration. The activities of chemicals found in extracts of Hünkar apple samples collected from four different locations against brain cancer proteins (PDB ID: 2DME, 6YPE, 1RV1) were examined. ADME/T analysis was then performed on the three molecules with the highest activity. The quantum chemical properties of these three molecules were also examined using the Gaussian package program with B3LYP, HF, M062X level in 6–31g, 6–31++g, and 6–31++g(d,p) basis sets. Full article

(This article belongs to the Special Issue Advances in Phytochemicals: Biological Activities and Applications)

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29 pages, 8991 KB

Open AccessArticle

Exploration and Preliminary Investigation of Wiled Tinospora crispa: A Medicinal Plant with Promising Anti-Inflammatory and Antioxidant Properties

by Salma Saddeek

Curr. Issues Mol. Biol. 2026, 48(1), 70; https://doi.org/10.3390/cimb48010070 - 9 Jan 2026

Cited by 2 | Viewed by 1022

Abstract

Background and Rationale: Tinospora crispa (L.) Hook.f. & Thomson (T. crispa) is a climbing medicinal plant with long-standing ethnopharmacological use, particularly in inflammatory and hepatic disorders and cancer-related conditions. There is a knowledge gap regarding how wild versus cultivated ecotypes differ in chemotype, bioactivity, and safety, and how this might support or refine traditional use. Study Objectives: This study aimed to compare wild and cultivated ecotypes of T. crispa from the Nile Delta (Egypt) in terms of quantitative and qualitative phytochemical profiles; selected in vitro biological activities (especially antioxidant and cytotoxic actions); genetic markers potentially associated with metabolic variation; and short-term oral safety in an animal model. Core Methodology: Standardized extraction of plant material from wild and cultivated ecotypes. Determination of total phenolics, total flavonoids, and major phytochemical classes (alkaloids, tannins, terpenoids). Metabolomic characterization using UHPLC-ESI-QTOF-MS, supported by NMR, to confirm key compounds such as berberine, palmatine, chlorogenic acid, rutin, and borapetoside C. In vitro bioassays including: Antioxidant activity (e.g., radical-scavenging assay with EC₅₀ determination). Cytotoxicity against human cancer cell lines, with emphasis on HepG2 hepatoma cells and calculation of IC₅₀ values. Targeted genetic analysis to detect single-nucleotide polymorphisms (SNPs) in the gen1 locus that differentiate ecotypes. A 14-day oral toxicity study in rats, assessing liver and kidney function markers and performing histopathology of liver and kidney tissues. Principal Results: The wild ecotype showed a 43–65% increase in total flavonoid and polyphenol content compared with the cultivated ecotype, as well as substantially higher levels of key alkaloids, particularly berberine (around 12.5 ± 0.8 mg/g), along with elevated chlorogenic acid and borapetoside C. UHPLC-MS and NMR analyses confirmed the identity of the main bioactive constituents and defined a distinct chemical fingerprint for the wild chemotype. Bioassays demonstrated stronger antioxidant activity of the wild extract than the cultivated one and selective cytotoxicity of the wild extract against HepG2 cells (IC₅₀ ≈ 85 µg/mL), being clearly more potent than extracts from cultivated plants. Genetic profiling detected a C → T SNP within the gen1 region that differentiates the wild ecotype and may be linked to altered biosynthetic regulation. The 14-day oral toxicity study (up to 600 mg/kg) revealed no evidence of hepatic or renal toxicity, with biochemical markers remaining within physiological limits and normal liver and kidney histology. Conclusions and Future Perspectives: The wild Nile-Delta ecotype of T. crispa appears to be a stress-adapted chemotype characterized by enriched levels of multiple bioactive metabolites, superior in vitro bioactivity, and an encouraging preliminary safety margin. These findings support further evaluation of wild T. crispa as a candidate source for standardized botanical preparations targeting oxidative stress-related and hepatic pathologies, while emphasizing the need for: More comprehensive in vivo efficacy studies. Cultivation strategies that deliberately maintain or mimic beneficial stress conditions to preserve phytochemical richness. Broader geographical and genetic sampling to assess how generalizable the present chemotypic and bioactivity patterns are across the species. Full article

(This article belongs to the Special Issue Advances in Phytochemicals: Biological Activities and Applications)

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23 pages, 1793 KB

Open AccessReview

Tea Polyphenols in the COVID-19 Era: Mechanistic Insights and Translational Challenges

by Harrison Chang, Chi-Sheng Wu, Ting-Yu Yeh and Wen-Chin Ko

Curr. Issues Mol. Biol. 2026, 48(4), 379; https://doi.org/10.3390/cimb48040379 - 5 Apr 2026

Viewed by 658

Abstract

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has driven the global COVID-19 pandemic, imposing a tremendous burden on public health. As the virus continually evolves through rapid mutations, the pandemic has transitioned into a prolonged endemic phase. Despite the development of novel drugs and vaccines, clinical outcomes remain suboptimal for vulnerable populations, including the elderly and those with comorbidities or compromised immunity. Tea polyphenols, a class of structurally diverse and bioactive nutraceuticals, may modulate viral entry, replication, and host inflammatory pathways implicated in disease progression through pleiotropic effects on viral attachment, membrane fusion, intracellular replication, and proteolytic processing. Here, we provide an updated chemo-biological perspective on the antiviral and immunomodulatory mechanisms of tea polyphenols against SARS-CoV-2. Current evidence highlights their potential to serve as promising candidates for further mechanistic and translational investigation as adjunctive strategies and nutraceuticals for COVID-19 management. Importantly, no large-scale randomized controlled trials have yet demonstrated clinical benefit of tea polyphenols in COVID-19. Full article

(This article belongs to the Special Issue Advances in Phytochemicals: Biological Activities and Applications)

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