Docking-based evaluation against Human Tankyrase-1 and Tankyrase-2 enzyme. (2022)
- Record Type:
- Journal Article
- Title:
- Docking-based evaluation against Human Tankyrase-1 and Tankyrase-2 enzyme. (2022)
- Main Title:
- Docking-based evaluation against Human Tankyrase-1 and Tankyrase-2 enzyme
- Authors:
- Garg, Aakriti
Kant, Kamal
Roy, Kuldeep K.
Sahoo, Abhishek
Malakar, Chandi C.
Gupta, Sreya - Abstract:
- Graphical abstract: Abstract: The detailed molecular docking studies have been performed to verify the biological activities of the synthesized compounds against the Human Tankyrase 1 and 2 (TNKS-1 and 2) enzymes implicated in the colorectal cancer. The presented in-silico studies have revealed that some of the synthesized derivatives exhibits better binding affinity compared to the existing clinical candidate drug XAV939, and thus demonstrated the novel scaffolds for further exploration towards targeting TNKS-1 and 2 inhibition. The information obtained from in-silico studies might be very useful to identify the novel lead compounds for further development towards the treatment of colorectal cancer targeting TNKS-1 and 2inhibitions. However, the finding requires the experimental validation by in vitro and in vivo investigations to develop effective drug for TNKS-1 and 2 inhibitions.
- Is Part Of:
- Materials today. Volume 57:Part 1(2022)
- Journal:
- Materials today
- Issue:
- Volume 57:Part 1(2022)
- Issue Display:
- Volume 57, Issue 1, Part 1 (2022)
- Year:
- 2022
- Volume:
- 57
- Issue:
- 1
- Part:
- 1
- Issue Sort Value:
- 2022-0057-0001-0001
- Page Start:
- 300
- Page End:
- 306
- Publication Date:
- 2022
- Subjects:
- Molecular docking -- In-silico study -- Human TNKS-1 and 2 enzymes -- Biological activity -- ADP-ribose polymerase
Materials science -- Congresses -- Periodicals
620.1 - Journal URLs:
- http://www.sciencedirect.com/science/journal/22147853 ↗
http://www.sciencedirect.com/ ↗ - DOI:
- 10.1016/j.matpr.2022.03.095 ↗
- Languages:
- English
- ISSNs:
- 2214-7853
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - BLDSS-3PM
British Library HMNTS - ELD Digital store - Ingest File:
- 21366.xml