Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study
- Title
- Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study
- Abstract
-
Acetyl-terminated poly(amidoamine) dendrimer (G4ACE) was investigated as a pH-responsive nanocarrier for co-delivery of irinotecan (IRI) and fluorouracil (FU) using molecular dynamics simulations. The loading capacity of G4ACE at low pH is lower than that of physiological conditions. Drug molecules prefer to interact with dendrimer through conjugation on the surface monomers. The calculated ΔGbind for G4ACE:xIRI:yFU at neutral pH is about −17.4 and −5.9 kcal.mol−1 for IRI and FU, respectively; while, the corresponding values at acidic environment are −11.8 and −2.1 kcal.mol−1, respectively. Thus, when the complex reaches the acidic environment of cancer cells, it quickly releases the bound FU molecules.
- Scientific Type
- غير معروف
- Journal volume
- vol.832,No.140876
- Collaboration type
- مشترك
- Publish Date
- December 1, 2023
- Participated Universities (Publication)
-
Alnoor University
- Scopus status
- In Scopus
- Scopus index year
- 2 023
- Scopus quarter
- 2
- Scopus citation score
- 5.400000095
- Clarivate status
- In Clarivate
- Clarivate index year
- 2 023
- Clarivate impafact
- 2.719000101
- Pub. Med. status
- Not In PubMed
- Author (Publication)
-
حنان حسن احمد عباس
- Journal (Publication)
- Chemical Physics Letters
- Publisher (Publication)
-
Elsevier
- ISSN
- 0009-2614
- Country (Publication)
-
Netherlands
- Country type
- عالمية
- College (Publication)
-
College of Pharmacy
- Departement (Publication)
-
Department of Pharmacy