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Novel 2-D phosphorene-based drug delivery system for anti-HIV zidovudine drug to enhance the therapeutic effects: A first-principles based study by Sami Ullah; Waqas Akram; Muhammad Saad Mahmood; Nabeel Shazad; Muhammad Nauman Zahid; Javed Iqbal is a Chemistry article available to read on EtoBox.
What is Novel 2-D phosphorene-based drug delivery system for anti-HIV zidovudine drug to enhance the therapeutic effects: A first-principles based study about?
The development of nanoparticle-based drug delivery systems (DDS) has become a deemed approach to obtain the desired therapeutic effects. Herein, we present 2-dimensional phosphorene-based DDS for the zidovudine (AZT) drug to obtain chemical stability, biodegradability, biocompatibility, and enhanced bioavailability. Firstprinciples-based protocols suggest that AZT prefers to interact with phosphorene via P-H interaction in the gas phase, with an ideal adsorption energy of -0.20 eV (BSSE corrected -0.17 eV) and -2.112 eV (BSSE corrected -1.68 eV). Our results show that the AZT@phosphorene complex manifests excellent solubility in aqueous medium. Effective and robust AZT-drug off-loading is expected at the biochemically active site as indicated by weak van der Waals interaction with the phosphorene carrier. The electron localization function (ELF) and the natural bonding orbital (NBO) analysis were used to investigate the charge transfer mechanism of the complex. The electron density of phosphorene varies significantly following complex formation indicating new molecular orbitals formation and electron transfer with minimal energy. The photoinduced electron transfer analysis explain
Who reads Novel 2-D phosphorene-based drug delivery system for anti-HIV zidovudine drug to enhance the therapeutic effects: A first-principles based study?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Sami Ullah; Waqas Akram; Muhammad Saad Mahmood; Nabeel Shazad; Muhammad Nauman Zahid; Javed Iqbal
- Publisher
- Elsevier BV
- Published
- 2023
- Language
- EN
- Field
- Chemistry (Physical Sciences)