Molecular dynamics simulations in drug discovery and pharmaceutical development

OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin… - Processes, 2020 - mdpi.com
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

Chitosan nanoparticles as a promising tool in nanomedicine with particular emphasis on oncological treatment

J Sharifi-Rad, C Quispe, M Butnariu, LS Rotariu… - Cancer cell …, 2021 - Springer
The study describes the current state of knowledge on nanotechnology and its utilization in
medicine. The focus in this manuscript was on the properties, usage safety, and potentially …

[HTML][HTML] Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges

I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2024 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …

Advances in anti-breast cancer drugs and the application of nano-drug delivery systems in breast cancer therapy

X Fang, J Cao, A Shen - Journal of Drug Delivery Science and Technology, 2020 - Elsevier
Breast cancer is one of the most common malignant tumors among women. Although the
traditional breast cancer therapies are effective, there have numerous shortcomings …

Chitosan: A versatile bio-platform for breast cancer theranostics

VS Madamsetty, S Tavakol, S Moghassemi… - Journal of Controlled …, 2022 - Elsevier
Breast cancer is considered one of the utmost neoplastic diseases globally, with a high
death rate of patients. Over the last decades, many approaches have been studied to early …

Update on modified chitosan frameworks and their applications for food, wastewater, toxic heavy metals, dyes treatment and cancer drug delivery

AK Sahdev, CJ Raorane, D Shastri, V Raj… - Journal of …, 2022 - Elsevier
Nanotechnology is an established field of study that impacts nano-biomedicine and the
treatment of diseases, malignancies, and inflammation. Several natural polysaccharides …

Folate functionalized chitosan nanoparticles as targeted delivery systems for improved anticancer efficiency of cytarabine in MCF-7 human breast cancer cell lines

D Geethakumari, AB Sathyabhama, KR Sathyan… - International Journal of …, 2022 - Elsevier
Anticancer drug cytarabine, has been widely used for treating haematological malignancies
while it has minimal activity against solid tumours, which demands continuous infusion …

Orally administered, biodegradable and biocompatible hydroxypropyl–β–cyclodextrin grafted poly (methacrylic acid) hydrogel for pH sensitive sustained anticancer …

N Batool, RM Sarfraz, A Mahmood, M Zaman, N Zafar… - Gels, 2022 - mdpi.com
In the current study, a pH sensitive intelligent hydroxypropyl–β–cyclodextrin-based
polymeric network (HP-β-CD-g-MAA) was developed through a solution polymerization …

Augmentation of anti-proliferative efficacy of quercetin encapsulated chitosan nanoparticles by induction of cell death via mitochondrial membrane permeabilization in …

P Das, S Ghosh, V Ashashainy, B Nayak - International Journal of …, 2023 - Elsevier
Quercetin (QCT), an antioxidant plant flavonoid, is known to impart prominent anti-cancer
properties. However, its clinical application as a potential drug is hindered owing to its …

Development and evaluation of cellulose derivative and pectin based swellable pH responsive hydrogel network for controlled delivery of cytarabine

N Batool, RM Sarfraz, A Mahmood, U Rehman… - Gels, 2023 - mdpi.com
In the present study, pH-sensitive, biodegradable, and biocompatible Na-CMC/pectin poly
(methacrylic acid) hydrogels were synthesized using an aqueous free radical polymerization …