Integrated experimental and computational investigation of a dual-functional colorimetric probe with anticancer activity for selective arginine sensing: insights from DFT, molecular docking, and molecular dynamics simulations
Synthesis of a novel anthracene-based Schiff base probe (P1) with anticancer activity for selective arginine sensing, and insights from DFT, molecular docking, and molecular dynamics simulations.
Authors
- Aayushi Joshi (ORCID: https://orcid.org/0000-0002-6100-9776)
- Nisarg Rana
- Rakesh Rawal (ORCID: https://orcid.org/0000-0002-7985-1187)
- Anu Manhas (ORCID: https://orcid.org/0000-0003-2759-9845)
- Giftson Jebakkan Senapathy (ORCID: https://orcid.org/0000-0003-0329-3956)
- Nikunjkumar Vagadiya
- Nandini Mukherjee (ORCID: https://orcid.org/0000-0003-1305-3198)
- Helly Shah
- Ranjit Singh Devkar
Institutions
- Maharaja Sayajirao University of Baroda (IN)
- Department of Biotechnology (IN)
- Pandit Deendayal Energy University (IN)
Publication Details
- Journal
- Materials Advances
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ma00683j
- Citations
- 1
- Primary Topic
- Molecular Sensors and Ion Detection
- Type
- article
- Field-Weighted Citation Impact
- 0.76