Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 14
Journal homepage
257
Views
7
CrossRef citations to date
0
Altmetric
Research Articles

Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach

Bader Saud Alotaibia Department of Medical Laboratory Science, College of Applied Medical Sciences, Shaqra University, Riyadh, Saudi ArabiaView further author information
,
Jatin Joshib Department of Computer Science, Jamia Millia Islamia, New Delhi, IndiaView further author information
,
Mohammad Raghibul Hasana Department of Medical Laboratory Science, College of Applied Medical Sciences, Shaqra University, Riyadh, Saudi ArabiaView further author information
,
Mohd Shahnawaz Khanc Department of Biochemistry, College of Sciences, King Saud University, Riyadh, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-4599-5924View further author information
ORCID Icon,
Salem Hussain Alharethid Department of Biological Science, College of Arts and Science, Najran University, Najran, Saudia ArabiaView further author information
,
Taj Mohammade Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, IndiaORCID Iconhttps://orcid.org/0000-0002-0399-4835View further author information
ORCID Icon,
Fahad A. Alhumaydhif Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-0151-8309View further author information
ORCID Icon,
Abdelbaset Mohamed Elasbalig Department of Clinical Laboratory Science, College of Applied Sciences-Qurayyat, Jouf University, Sakaka, Saudi ArabiaView further author information
&
Md. Imtaiyaz Hassanf Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi ArabiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-3663-4940View further author information
ORCID Icon show all
Pages 6749-6758 | Received 04 Jul 2022, Accepted 04 Aug 2022, Published online: 13 Aug 2022

Citations (7)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (5)

Bader S. Alotaibi, Mohammed Ageeli Hakami, Talha Jawaid, Nawaf Alshammari, Reem Binsuwaidan & Mohd Adnan. (2023) Identification of potential Escherichia coli DNA gyrase B inhibitors targeting antibacterial therapy: an integrated docking and molecular dynamics simulation study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-12.
Read now
Tanmayee Basu & Atul Kumar Upadhyay. (2023) In silico study of novel alpha tocopheroids as effective inhibitors of aldo-keto reductase 1c3 (AKR1C3) enzyme. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
Read now
Tufail Ali, Farah Anjum, Arunabh Choudhury, Alaa Shafie, Amal Adnan Ashour, Abdulraheem Almalki, Taj Mohammad & Md. Imtaiyaz Hassan. (2023) Identification of natural product-based effective inhibitors of spleen tyrosine kinase (SYK) through virtual screening and molecular dynamics simulation approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
Read now
Bandar Alharbi, Salem Hussain Alharethi, Waleed Abu Al-Soud, Lamya Ahmed Al-Keridis, Abdullah A. Aljohani, Deeba Shamim Jairajpuri, Nawaf Alshammari & Mohd Adnan. (2023) Exploring the potential of phytochemicals as inhibitors of 3'-phosphoadenosine 5'-phosphosulfate synthase 1 targeting cancer therapy. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
Read now
Mohammed Ageeli Hakami, Bader S. Alotaibi, Ali Hazazi, Alaa Shafie, Ahad Amer Alsaiari, Amal Adnan Ashour & Farah Anjum. (2023) Identification of potential inhibitors of tropomyosin receptor kinase B targeting CNS-related disorders and cancers. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-11.
Read now

Articles from other publishers (2)

Rui Qiao, Wanggang Tang, Jiayan Li, Chen Li, Chaoyue Zhao, Xun Wang, Minghui Li, Yuchen Cui, Yanjia Chen, Guonan Cai, Qingyu Wu, Xiaoyu Zhao & Pengfei Wang. (2023) Structure-based virtual screening of ROCK1 inhibitors for the discovery of Enterovirus-A71 antivirals. Virology 585, pages 205-214.
Crossref
Moyad Shahwan, Nageeb Hassan, Akram Ashames, Mohammed Alrouji, Fahad Alhumaydhi, Waleed Al Abdulmonem, Abdullatif Bin Muhsinah, Mohammad Furkan, Rizwan Hasan Khan, Anas Shamsi & Akhtar Atiya. (2023) PF543-like compound, a promising sphingosine kinase 1 inhibitor: Structure-based virtual screening and molecular dynamic simulation approaches. International Journal of Biological Macromolecules 245, pages 125466.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.