Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study

doi:10.1016/j.cplett.2023.140876

Chia Nan University of Pharmacy & Science Institutional Repository > 藥理學院 > 藥學系(所) > 期刊論文 > Item 310902800/34868

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標題:	Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study
作者:	Hsu, Chou-Yi Rajhi, Ali A. Ali, Eyhab Chandra, Subhash Ahmed, Hanan Hassan Adhab, Zainab Hussein Alkhayyat, Ameer S. Alsalamy, Ali Saadh, Mohamed J.
貢獻者:	Chia Nan Univ Pharm & Sci, Dept Pharm King Khalid Univ, Coll Engn, Dept Mech Engn Al Zahraa Univ Women GLA Univ, Dept Elect Engn Al Noor Univ Coll, Dept Pharm Al Zahrawi Univ Coll, Dept Pharm Islamic Univ, Coll Med Technol, Med Lab Technol Dept Imam Jaafar Al Sadiq Univ, Coll Tech Engn Middle East Univ, Fac Pharm Appl Sci Private Univ, Appl Sci Res Ctr
關鍵字:	PAMAM dendrimer Irinotecan Fluorouracil pH-responsive nanocarrier MD simulations
日期:	2023
上傳時間:	2024-12-25 11:04:50 (UTC+8)
出版者:	ELSEVIER
摘要:	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 Delta Gbind 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.
關聯:	Chemical Physics Letters, v.832, Article 140876
显示于类别:	[藥學系(所)] 期刊論文

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