Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study

Khalid M Alharthy; Marwa Fadhil Alsaffar; Hassan N Althurwi; Faisal F Albaqami; Russul Reidh Abass; Aisha Majid Alawi; Sarah Salah Jalal; Shazia Tabassum; Hao Zhang; Wang Peng

doi:10.1016/j.inoche.2023.110482

Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study

Inorg Chem Commun. 2023 Apr:150:110482. doi: 10.1016/j.inoche.2023.110482. Epub 2023 Feb 6.

Authors

Affiliations

¹ Pharmacology and Toxicology Department, College of Pharmacy, Prince Sattam bin Abdulaziz University, AlKharj 11942, Saudi Arabia.
² Medical Laboratories Techniques Department, AL-Mustaqbal University College, 51001 Hillah, Babil, Iraq.
³ Al-Farahidi University, Medical Lab. Techniques department, College of Medical Techology, Iraq.
⁴ Medical Laboratory Techniques Department, Al-Nisour University College, Baghdad, Iraq.
⁵ College of nursing, National University of Science and Technology, Dhi Qar, Iraq.
⁶ Department of English, College of Science and Arts, Rejal Alma'a Campus, King Khalid University, Abha, Saudi Arabia.
⁷ Department of Chemistry, Molecular Logic Gate Laboratory, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Republic of Korea.

Abstract

Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. B₂₄N₂₄ nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findings revealed that nanocage doping, particularly with Si and Al, yields more satisfactory drug delivery for CQ due to their greater electronic and energetic characteristics with CQ.

Keywords: COVID-19; Chloroquine; Delivery; Nanocage.