Biologically Active Molecules

Biologically active molecules encompass a vast array of natural and synthetic small compounds that interact specifically with proteins, nucleic acids or membranes to modulate physiological processes. Major classes include peptides and peptide mimetics, alkaloids, terpenoids, polyketides and polyphenols. Their structural diversity ranges from simple phenolics to elaborate polycyclic frameworks and three-dimensional boron clusters. These molecules underpin therapeutics, agrochemicals and nutraceuticals by engaging in selective binding, enzyme inhibition or membrane modulation. Advances in chemical synthesis, biocatalysis and high-resolution structural methods have deepened understanding of structure–activity relationships, enabling rational design and large-scale production. Emerging applications span targeted cancer therapies, antimicrobial strategies, metabolic regulation and functional food fortification. The growing interface between synthetic chemistry, enzymology and computational modelling continues to expand the repertoire and utility of biologically active scaffolds.

Research from Nature Portfolio

A stereocontrolled synthetic platform now provides access to high-oxidation-state securinine-type alkaloids. By selective oxidation, rearrangement and epimerisation on the bridged piperidine core, researchers achieved total syntheses of multiple C4-oxygenated securinega congeners. This unified approach overcomes previous hurdles in forging elaborate heterocyclic oxidation motifs and sets the stage for rapid analogue generation.

Optimisation of extraction and functionalisation of the abietane diterpene 7α-acetoxy-6β-hydroxyroyleanone has been achieved by comparing supercritical CO₂ and ultrasound-assisted methods. Subsequent esterification at defined hydroxyl sites yielded di-ester derivatives with enhanced cytotoxicity against breast cancer cell lines. Molecular docking elucidated selective activation of protein kinase C isoforms, guiding future kinase-targeted design.

A superchaotropic boron cluster anion has been shown to serve as an inorganic membrane carrier for hydrophilic bioactive cargo ranging from peptides to small-molecule drugs. The dodecaborate cluster enables efficient cytosolic delivery without membrane disruption, opening new avenues for intracellular transport of otherwise impermeable therapeutics.

Research from all publishers

Green phytosynthesis of silver nanoparticles using aerial-part extracts of Marrubium vulgare has delivered stable AgNPs under 15 nm. These particles exhibit concentration- and time-dependent cytotoxicity against human gingival fibroblasts and transient modulation of nitric oxide, illustrating both therapeutic potential and the need for safety profiling in nanomedicine.

Halimane diterpenes isolated from Plectranthus ornatus have been characterised structurally and thermally, and novel amide derivatives demonstrate potent cytotoxicity against leukaemia cell lines alongside antioxidant and anti-inflammatory effects. Structure–activity analysis highlights the influence of amide modification on anti-cancer potency and redox balance.

Comparative gene-expression profiling in mammalian cells treated with Ricinus communis leaf extracts revealed downregulation of PI3K/AKT proliferative signalling and modulation of glucose-homeostasis genes. These molecular insights corroborate traditional uses and inform safety assessments for castor-derived preparations.

Biologically Active Molecules publication trend

The graph below shows the total number of articles in biologically active molecules across all publications each year (not limited to Nature Index journals).

Technical terms

Pharmacophore: The minimal set of steric and electronic features required for optimal interaction with a biological target.

Total synthesis: Laboratory construction of a complex natural product from simple starting materials, confirming structure and providing supply.

Epimerisation: Inversion of configuration at a single stereogenic centre in a molecule, often altering biological activity.

Biocatalysis: Use of enzymes or whole-cell systems to perform chemical transformations with high regio- and stereocontrol under mild conditions.

Superchaotropic anion: A highly polarisable, weakly hydrated anion capable of facilitating membrane translocation of hydrophilic molecules without disruption.

Molecular docking: Computational technique predicting the preferred orientation and binding affinity of a small molecule to a protein target.

References

1. Development of Biologically Active Phytosynthesized Silver Nanoparticles Using Marrubium vulgare L. Extracts: Applications and Cytotoxicity Studies. Nanomaterials (2024).
2. Halimane Derivatives from Plectranthus ornatus Codd. as Novel Anti-cancer Agents. Biomedicine & Pharmacotherapy (2024).
3. Gene expression profiling to elucidate the pharmacological and toxicological effects of Ricinus communis L. leaf extract in mammalian cells. Biotechnology & Biotechnological Equipment (2019).
4. Collective total synthesis of C4-oxygenated securinine-type alkaloids via stereocontrolled diversifications on the piperidine core. Nature Communications (2022).
5. Extraction optimization and reactivity of 7α-acetoxy-6β-hydroxyroyleanone and ability of its derivatives to modulate PKC isoforms. Scientific Reports (2024).
6. Boron clusters as broadband membrane carriers. Nature (2022).