Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Adrenergic Agonists: Chemistry and Structure-Activity Relationship01:16

Adrenergic Agonists: Chemistry and Structure-Activity Relationship

Adrenergic agonists' structure-activity relationship (SAR) determines their selectivity and efficacy. These agonists comprise a phenylethylamine moiety with an aromatic ring and an ethylamine side chain.
Aromatic ring substitutions: Substituting the aromatic ring with –OH groups at positions 3 and 4 yields catecholamines (e.g., epinephrine), which have a high affinity for adrenoceptors. Hydrogen bonding between –OH groups and receptors enhances adrenergic activity.
Separation of the aromatic...
Local Anesthetics: Chemistry and Structure-Activity Relationship01:30

Local Anesthetics: Chemistry and Structure-Activity Relationship

Local anesthetics (LAs) are drugs that induce a temporary loss of sensation in a limited body area, preventing pain. Cocaine was the first local anesthetic discovered in the late 19th century. Cocaine is a benzoic acid ester obtained from the leaves of coca shrubs and was often used for its psychotropic effects. Cocaine was first isolated in 1860 by Albert Niemann. Sigmund Freud studied the physiological actions of cocaine. Carl Koller later introduced it into clinical practice in 1884 as a...
Drugs that Stabilize Microtubules01:15

Drugs that Stabilize Microtubules

Microtubules are dynamic structures that undergo cycles of catastrophe and rescue. The microtubules play a central role in cell division by forming the spindle apparatus for segregating the chromosomes. This makes them ideal targets for regulating dividing cells in tumors and malignant cancer cells. Microtubule stabilizing drugs help stabilize the microtubule formation and promote its polymerization. Paclitaxel was the first microtubule stabilizing agent used as anticancer drug in chemotherapy...
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Antifungal Agents01:15

Antifungal Agents

Amphotericin B is a broad-spectrum antifungal agent that exploits structural differences between fungal and mammalian cell membranes. Its amphipathic structure—featuring a hydrophobic polyene-lactone ring and a hydrophilic region containing mycosamine and carboxylic acid groups—enables selective binding to ergosterol, a sterol predominantly found in fungal plasma membranes. This selective interaction underlies the drug’s antifungal activity, although weak binding to cholesterol contributes to...
Drugs that Destabilize Microtubules01:10

Drugs that Destabilize Microtubules

Microtubules are dynamic structures and can be regulated by microtubule targeting agents (MTAs). Microtubule destabilizing drugs are a class of MTAs that destabilize and prevent microtubules' polymerization. Both natural and synthetic chemicals can be found under this class of drugs. Vincristine and vinblastine, two vinca alkaloids, and colchicine were among the first to be discovered. These drugs can affect cells in various ways, either by inducing a change in cell morphology, preventing...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Monoterpenoid-ciprofloxacin hybrids as a strategy to disrupt Staphylococcus aureus biofilms and overcome associated resistance.

Journal of advanced research·2026
Same author

Tolcapone-loaded nanostructured lipid carriers for improved oral delivery.

International journal of pharmaceutics·2026
Same author

Chromones as Nonclassical Inhibitors of Carbonic Anhydrase IX and XII Isoforms: Probing Chromone-Based Derivatives.

Archiv der Pharmazie·2026
Same author

Hydroxycinnamic and Hydroxybenzoic-Based Mitochondriotropic Antioxidants Improve Bovine Embryo Quality and Cryo-Survival.

Veterinary sciences·2026
Same author

25-nitro-20-epi-vitamin D analogue with anti-proliferative and cytoprotective properties: Biological and pharmacological evaluation.

Experimental and molecular pathology·2026
Same author

Mitochondria-targeted antioxidant AntiOxBEN<sub>2</sub> prevents metabolic dysfunction-associated steatotic liver disease (MASLD) by enhancing fatty acid oxidation and mitochondrial bioenergetics.

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie·2026

Related Experiment Video

Updated: Jul 16, 2026

Formation of Covalent DNA Adducts by Enzymatically Activated Carcinogens and Drugs In Vitro and Their Determination by 32P-postlabeling
09:33

Formation of Covalent DNA Adducts by Enzymatically Activated Carcinogens and Drugs In Vitro and Their Determination by 32P-postlabeling

Published on: March 20, 2018

Phenolic esters with potential anticancer activity--the structural variable.

Nelson F L Machado1, Rita Calheiros, Sónia M Fiuza

  • 1Unidade I&D Química-Física Molecular, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra, Portugal.

Journal of Molecular Modeling
|March 7, 2007
PubMed
Summary

Dihydroxycinnamic esters, potential anticancer agents, exhibit conformational flexibility influenced by hydroxyl and alkyl ester groups. Alkyl chain branching, not length, impacts stability and molecular dynamics.

More Related Videos

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay
11:14

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay

Published on: November 10, 2013

Related Experiment Videos

Last Updated: Jul 16, 2026

Formation of Covalent DNA Adducts by Enzymatically Activated Carcinogens and Drugs In Vitro and Their Determination by 32P-postlabeling
09:33

Formation of Covalent DNA Adducts by Enzymatically Activated Carcinogens and Drugs In Vitro and Their Determination by 32P-postlabeling

Published on: March 20, 2018

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay
11:14

Anticancer Metal Complexes: Synthesis and Cytotoxicity Evaluation by the MTT Assay

Published on: November 10, 2013

Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Physical Chemistry

Background:

  • Dihydroxycinnamic acid derivatives are explored for anticancer properties.
  • Understanding molecular conformation is crucial for drug design and efficacy.

Purpose of the Study:

  • To investigate the conformational preferences of dihydroxycinnamic esters.
  • To determine factors influencing the stability of these phenolic compounds.
  • To compare esterified compounds with parent caffeic acid.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Conformational analysis was performed for isolated molecules and aqueous solutions.
  • Vibrational spectra were simulated using calculated harmonic frequencies.

Main Results:

  • Hydroxyl and alkyl ester group orientations are key to phenolic system stability, linked to pi-electron delocalization.
  • Esterification increases conformational freedom, primarily affecting C-OR bond rotation.
  • Alkyl chain length has minimal impact unless branched; branching affects stability.

Conclusions:

  • Conformational analysis provides insights into dihydroxycinnamic ester stability.
  • Esterification significantly alters molecular dynamics compared to caffeic acid.
  • Structural features like hydroxyl and alkyl ester group orientation are critical for potential anticancer activity.