PubHawk
Eur J Med Chem November 2021 PMID 34303871

Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review.

Victor T Sabe, Thandokuhle Ntombela, Lindiwe A Jhamba, Glenn E M Maguire, Thavendran Govender, Tricia Naicker, Hendrik G Kruger

Download social card

Mentions

7
Peak: 3 in Mar 2022
across 3 sources since Mar 2022

Extended reach

3,964
potential audience

Total likes

23

Video views

792

Mentions per month

Mar 2022 – Jun 2025

Where it's discussed

  • X / Twitter3 posts
  • YouTube2 videos
  • News2 articles

AI synopsis

What people are saying

The discussion highlights appreciation for the effort put into compiling data on drugs discovered with CADD, with phrases like 'Thanks to Victor T. Sabe and his co-workers' demonstrating recognition and gratitude. The tone is positive and supportive, emphasizing the value of the data collection in the field of computational drug design, but it lacks critical analysis or in-depth engagement.

AgreementModerate agreement

Both posts express appreciation and support for the work, indicating a positive stance towards the publication.

InterestModerate interest

The posts show moderate interest, focusing on recognition and the value of the compiled data rather than detailed critique or analysis.

EngagementNeutral engagement

Engagement is minimal, as the discussion mainly comprises acknowledgments without deep exploration of the article's content.

ImpactModerate impact

The recognition of the work's contribution suggests it might influence ongoing research or appreciation within the community, but the overall impact appears moderate.

Abstract in brief

  • Computer-aided drug design (CADD) is a crucial method in pre-clinical drug discovery, utilizing various computational techniques and software programs to efficiently develop new drugs.
  • A systematic evaluation of over 600 publications from 2015 to 2020 identified that the ZINC database and structure-based virtual screening (SBVS) were the most commonly used resources, with AutoDock being the leading molecular docking software.
  • Following virtual screening, 38.5% of studies used molecular dynamics simulations, primarily employing GROMACS, while only a small percentage utilized density functional theory (DFT), highlighting emerging trends in drug design methodologies.
Read the full abstract

Top posts

Most liked on X and Bluesky
ⓘ ⓗ ⓢ ⓐ ⓝ
@ihsanul_arief · X

Thanks to Victor T. Sabe and his co-workers who compiled data of the drugs that were discovered with CADD #compchem #drugdiscovery https://t.co/zZnAI2Zivu https://t.co/dNtEbBUk2H

Mar 29, 2022 · 2 likes · 2 shares · 269 followers View post →
CompChemBio Bot
@CompChemBioBot · X

RT @ihsanul_arief: Thanks to Victor T. Sabe and his co-workers who compiled data of the drugs that were discovered with CADD #compchem #dr…

Mar 29, 2022 · 2 shares · 2,758 followers View post →

All mentions

sci_curious
@scicurious3 · X

RT @ihsanul_arief: Thanks to Victor T. Sabe and his co-workers who compiled data of the drugs that were discovered with CADD #compchem #dr…

Mar 29, 2022 · 2 shares · 134 followers View post →
CompChemBio Bot
@CompChemBioBot · X

RT @ihsanul_arief: Thanks to Victor T. Sabe and his co-workers who compiled data of the drugs that were discovered with CADD #compchem #dr…

Mar 29, 2022 · 2 shares · 2,758 followers View post →
ⓘ ⓗ ⓢ ⓐ ⓝ
@ihsanul_arief · X

Thanks to Victor T. Sabe and his co-workers who compiled data of the drugs that were discovered with CADD #compchem #drugdiscovery https://t.co/zZnAI2Zivu https://t.co/dNtEbBUk2H

Mar 29, 2022 · 2 likes · 2 shares · 269 followers View post →