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

Theoretical Approaches to Psychological Disorder01:29

Theoretical Approaches to Psychological Disorder

877
The development of psychological disorders, which are characterized by deviant, maladaptive, and personally distressing behaviors, has been explored through several theoretical approaches.
Biological approach
The biological approach posits that internal, organic factors are the primary causes of such disorders. This perspective emphasizes brain structure and function, genetic predispositions, and neurotransmitter imbalances. For example, schizophrenia has been associated with both genetic...
877
Theoretical Foundations of Nursing Practice01:30

Theoretical Foundations of Nursing Practice

17.9K
Theories play an essential role in organizing patient care. Theories refer to a proposed or followed belief, policy, or procedure that is the basis for action. Nursing theories are knowledge-based concepts that guide nurses' actions, influence nursing education and practice, and allow nurses to care for their patients.
Theories provide a perspective to assess patients' conditions and organize data and methods. They also assist in analyzing and interpreting information. They represent a...
17.9K
Substance Use Disorders Affecting Sleep01:24

Substance Use Disorders Affecting Sleep

462
Substance use disorders involve a pattern of using drugs more extensively than intended and continuing use despite harmful consequences. This includes legal substances like alcohol and nicotine, as well as illegal drugs. These disorders often involve both physical and psychological dependence, reflecting compulsive use of substances that significantly alter thoughts, feelings, and behaviors, contributing to a major public health issue.
Understanding the concepts of physical dependence,...
462
Deleterious Substances in Aggregate01:25

Deleterious Substances in Aggregate

580
Deleterious substances in aggregates can be detrimental to the quality and durability of concrete. These substances include organic impurities like loam, which interfere with cement hydration and are usually present in the sand. These prevent a good bond between aggregate and cement paste. Organic impurities can be detected using the colorimetric test, where the darkness of a solution after agitation indicates the level of organic content.
Another type of impurity is clay and fine material that...
580
Connective Tissue Fibers and Ground Substance01:17

Connective Tissue Fibers and Ground Substance

22.5K
One of the significant functions of connective tissue is connecting tissues and organs. Unlike epithelial tissue that is composed of cells closely packed with little or no extracellular space in between, connective tissue cells are dispersed in a matrix. The matrix usually includes a large amount of extracellular material produced by the connective tissue cells that are embedded within it. It plays a significant role in the functioning of this tissue. The major component of the matrix is a...
22.5K
Toxicity Testing in Animals01:23

Toxicity Testing in Animals

1
Toxicity tests in animals are grounded on two main assumptions: first, the effects observed in laboratory animals can be extrapolated to humans, especially when adjusted for body surface area; second, high-dose exposure in animals is essential to identify potential human hazards from lower doses. This is based on the quantal dose-response concept, which faces the challenge of extrapolating results from relatively few test animals to much larger human populations. For example, a 0.01% incidence...
1

You might also read

Related Articles

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

Sort by
Same author

Temporal Trends and Characteristics of Immunization Consultation Hotline Calls - Suzhou City, Jiangsu Province, China, 2018-2024.

China CDC weekly·2026
Same author

META-Tox: Multiview Ensemble with Topological Aggregation for Robust <i>In Vivo</i> Toxicity Prediction.

The journal of physical chemistry letters·2026
Same author

Rotavirus Vaccine Coverage and Surveillance of Adverse Events Following Immunization in a Birth Cohort of Children (2017-2023) in Suzhou, China.

Vaccines·2026
Same author

Analysis on the characteristics of delayed EV71 vaccination among children in the birth cohort from 2017 to 2022.

Human vaccines & immunotherapeutics·2026
Same author

Cullin-3 adaptor SHKBP1 inhibits SQSTM1/p62 oligomerization and Keap1 sequestration.

The Journal of cell biology·2026
Same author

Membrane editing with proximity labeling reveals regulators of lipid homeostasis.

Nature chemical biology·2026

Related Experiment Video

Updated: Feb 14, 2026

A Small-Scale Setup for Algal Toxicity Testing of Nanomaterials and Other Difficult Substances
08:18

A Small-Scale Setup for Algal Toxicity Testing of Nanomaterials and Other Difficult Substances

Published on: October 10, 2020

6.2K

Tecovirimat-Related Substance: Characterization, Hirshfeld Analysis, Theoretical Study, In Silico Toxicity

Fengfeng Wang1, Xiaowen Hu1, Caiyu Zhang1

  • 1Institute for Chemical Drug Control, National Institutes for Food and Drug Control, Beijing 102629, China.

Molecules (Basel, Switzerland)
|February 13, 2026
PubMed
Summary

This study reports crystal structures and intermolecular interactions of novel trifluoromethylated benzohydrazides. Genotoxicity assessments revealed compound 2 as non-genotoxic, while compounds 1 and 3 require further evaluation.

Keywords:
Hirshfeld analysisSCXRDin silico toxicityrelated substancetecovirimat

More Related Videos

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

894
In Silico Identification and Characterization of circRNAs During Host-Pathogen Interactions
10:27

In Silico Identification and Characterization of circRNAs During Host-Pathogen Interactions

Published on: October 21, 2022

2.0K

Related Experiment Videos

Last Updated: Feb 14, 2026

A Small-Scale Setup for Algal Toxicity Testing of Nanomaterials and Other Difficult Substances
08:18

A Small-Scale Setup for Algal Toxicity Testing of Nanomaterials and Other Difficult Substances

Published on: October 10, 2020

6.2K
Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

894
In Silico Identification and Characterization of circRNAs During Host-Pathogen Interactions
10:27

In Silico Identification and Characterization of circRNAs During Host-Pathogen Interactions

Published on: October 21, 2022

2.0K

Area of Science:

  • Crystallography and Materials Science
  • Medicinal Chemistry
  • Computational Chemistry

Background:

  • Trifluoromethylated benzohydrazides are of interest in medicinal chemistry.
  • Understanding crystal structures and intermolecular interactions is crucial for drug development.
  • In silico genotoxicity assessment guides the safety evaluation of chemical compounds.

Purpose of the Study:

  • To report the crystal structures of three novel trifluoromethylated benzohydrazides and tecovirimat.
  • To analyze intermolecular interactions using Hirshfeld analysis.
  • To assess the potential genotoxicity of these compounds according to ICH M7 guidelines.

Main Methods:

  • Single-crystal X-ray diffraction
  • Powder X-ray diffraction (PXRD)
  • Differential Scanning Calorimetry (DSC)
  • Packing energy calculations
  • In silico genotoxicity assessment (Derek Nexus, Sarah Nexus)

Main Results:

  • Novel crystal structures of compounds 1, 2, and 3 were determined, along with tecovirimat (4).
  • Hirshfeld analysis quantified intermolecular interactions, and PXRD confirmed high crystal purity.
  • Melting point trends correlated with packing energies for structurally similar compounds.
  • Compound 2 was predicted as non-genotoxic (ICH M7 Class 5), while compounds 1 and 3 were flagged as potentially genotoxic (ICH M7 Class 3).

Conclusions:

  • The study provides structural insights into trifluoromethylated benzohydrazides and their intermolecular interactions.
  • The findings highlight the importance of crystal packing in determining physical properties like melting point.
  • Genotoxicity predictions indicate a need for further experimental validation for compounds 1 and 3, guiding future research and development.