[HTML][HTML] A guide to in silico drug design

Y Chang, BA Hawkins, JJ Du, PW Groundwater… - Pharmaceutics, 2023 - mdpi.com
The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …

Carbon nanotubes in biomedical applications: current status, promises, and challenges

BO Murjani, PS Kadu, M Bansod, SS Vaidya… - Carbon Letters, 2022 - Springer
In the past decade, there has been phenomenal progress in the field of nanomaterials,
especially in the area of carbon nanotubes (CNTs). In this review, we have elucidated a …

Nanocarriers based novel and effective drug delivery system

S Khizar, N Alrushaid, FA Khan, N Zine… - International Journal of …, 2023 - Elsevier
Nanotechnology has ultimately come into the domain of drug delivery. Nanosystems for
delivery of drugs are promptly emerging science utilizing different nanoparticles as carriers …

[HTML][HTML] Application of DFT calculations in designing polymer-based drug delivery systems: An overview

OC Adekoya, GJ Adekoya, ER Sadiku, Y Hamam… - Pharmaceutics, 2022 - mdpi.com
Drug delivery systems transfer medications to target locations throughout the body. These
systems are often made up of biodegradable and bioabsorbable polymers acting as delivery …

Modern carbon–based materials for adsorptive removal of organic and inorganic pollutants from water and wastewater

VI Isaeva, MD Vedenyapina, AY Kurmysheva… - Molecules, 2021 - mdpi.com
Currently, a serious threat for living organisms and human life in particular, is water
contamination with persistent organic and inorganic pollutants. To date, several techniques …

Carbon nanotubes as an emerging nanocarrier for the delivery of doxorubicin for improved chemotherapy

R Chadar, O Afzal, SM Alqahtani… - Colloids and surfaces B …, 2021 - Elsevier
Carbon nanotubes (CNTs), a versatile nanocarrier for doxorubicin (DOX) delivery had
attracted significant attention in drug delivery of pharmaceuticals. Several properties such as …

[HTML][HTML] Recent advances in the applications of CNT-based nanomaterials in pharmaceutical nanotechnology and biomedical engineering

K de Almeida Barcelos, J Garg, DCF Soares… - Journal of Drug Delivery …, 2023 - Elsevier
Current perspectives on applying functionalized carbon nanotubes (ƒ-CNTs) in
nanomedicine and bioengineering are diversely projected onto designing safe, effective …

[HTML][HTML] Advancements in molecular simulation for understanding pharmaceutical pollutant Adsorption: A State-of-the-Art review

I Salahshoori, S Mahdavi, Z Moradi, M Otadi… - Journal of Molecular …, 2024 - Elsevier
The contamination of natural water resources by pharmaceutical pollutants has become a
significant environmental concern. Traditional experimental approaches for understanding …

Enhanced adsorptive removal of indigo carmine dye by bismuth oxide doped MgO based adsorbents from aqueous solution: Equilibrium, kinetic and computational …

FA Adam, MG Ghoniem, M Diawara, S Rahali… - RSC …, 2022 - pubs.rsc.org
Novel doped MgO nanoadsorbents were effectively fabricated at various Bi2O3 do**
concentrations (0, 2.5, 5 and 10%). DFT-D3 study showed that the do** is done by …

[HTML][HTML] A combined DFT, Monte Carlo, and MD simulations of adsorption study of heavy metals on the carbon graphite (111) surface

M Khnifira, W Boumya, J Attarki, A Mahsoune… - Chemical Physics …, 2022 - Elsevier
This work investigated the adsorption mechanism of heavy metals: silver (Ag), mercury (Hg),
cadmium (Cd), palladium (Pd), and zinc (Zn) on the carbon graphite (111) surface based on …