[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, opportunities, and challenges in methods for interrogating the structure activity relationships of natural products

CMF Ancajas, AS Oyedele, CM Butt… - Natural Product …, 2024 - pubs.rsc.org
Time span in literature: 1985-early 2024Natural products play a key role in drug discovery,
both as a direct source of drugs and as a starting point for the development of synthetic …

Unlocking the wound-healing potential: An integrative in silico proteomics and in vivo analysis of Tacorin, a bioactive protein fraction from Ananas comosus (L.) Merr …

P Rahayu, D Dermawan, F Nailufar… - … et Biophysica Acta (BBA …, 2025 - Elsevier
Tacorin, a bioactive protein fraction derived from pineapple stem (Ananas comosus), has
emerged as a promising therapeutic agent for wound healing. This study employs an …

Fluorescence-based protein stability monitoring—a review

N Gooran, K Kopra - International Journal of Molecular Sciences, 2024 - mdpi.com
Proteins are large biomolecules with a specific structure that is composed of one or more
long amino acid chains. Correct protein structures are directly linked to their correct function …

Unraveling modulation effects on albumin synthesis and inflammation by Striatin, a bioactive protein fraction isolated from Channa striata: In silico proteomics and in …

A Musliha, D Dermawan, P Rahayu, RR Tjandrawinata - Heliyon, 2024 - cell.com
Hypoalbuminemia, associated with inflammation in severely ill patients, can emerge due to
decreased albumin production. Transforming growth factor-beta (TGF-β) and nuclear factor …

Recent advances in enzyme inhibition: A pharmacological review

K Singh, B Bhushan, N Mittal… - Current Enzyme …, 2024 - benthamdirect.com
Enzyme inhibition is a crucial mechanism for regulating biological processes and
develo** therapeutic interventions. This pharmacological review summarizes recent …

[HTML][HTML] Integrating computational design and experimental approaches for next-generation biologics

A Son, J Park, W Kim, W Lee, Y Yoon, J Ji… - Biomolecules, 2024 - pmc.ncbi.nlm.nih.gov
Therapeutic protein engineering has revolutionized medicine by enabling the development
of highly specific and potent treatments for a wide range of diseases. This review examines …

[HTML][HTML] High-Throughput Molecular Modeling and Evaluation of the Anti-Inflammatory Potential of Açaí Constituents against NLRP3 Inflammasome

ECM Rocha, JAP Rocha, RA da Costa… - International Journal of …, 2024 - mdpi.com
The search for bioactive compounds in natural products holds promise for discovering new
pharmacologically active molecules. This study explores the anti-inflammatory potential of …

Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules

D Bassani, NJ Parrott, N Manevski… - Expert Opinion on Drug …, 2024 - Taylor & Francis
Introduction Prediction of pharmacokinetic (PK) properties is crucial for drug discovery and
development. Machine-learning (ML) models, which use statistical pattern recognition to …

Unleashing the Future: The Revolutionary Role of Machine Learning and Artificial Intelligence in Drug Discovery

MK Yadav, V Dahiya, MK Tripathi, N Chaturvedi… - European Journal of …, 2024 - Elsevier
Drug discovery is a complex and multifaceted process aimed at identifying new therapeutic
compounds with the potential to treat various diseases. Traditional methods of drug …