[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 …

Efficient and feasible biocatalysts: Strategies for enzyme improvement. A review

SH Albayati, NG Nezhad, AG Taki… - International Journal of …, 2024 - Elsevier
Owing to the environmental friendliness and vast advantages that enzymes offer in the
biotechnology and industry fields, biocatalysts are a prolific investigation field. However, the …

Comparative analysis of RNA 3D structure prediction methods: towards enhanced modeling of RNA–ligand interactions

C Nithin, S Kmiecik, R Błaszczyk… - Nucleic Acids …, 2024 - academic.oup.com
Accurate RNA structure models are crucial for designing small molecule ligands that
modulate their functions. This study assesses six standalone RNA 3D structure prediction …

Environmental concentrations of 6PPD and 6PPD-quinone induce hepatic lipid metabolism disorders in male black-spotted frogs

Z Liu, Y Feng, W Sun, B Wang, C Shi, R Ran… - Journal of Hazardous …, 2024 - Elsevier
Aquatic environments are generally contaminated with N-(1, 3-dimethylbutyl)-N′-phenyl-p-
phenylenediamine (6PPD) and its oxidation product 6PPD-quinone (6PPD-Q). Recently …

[HTML][HTML] Phytochemicals in drug discovery—A confluence of tradition and innovation

P Chihomvu, A Ganesan, S Gibbons… - International Journal of …, 2024 - mdpi.com
Phytochemicals have a long and successful history in drug discovery. With recent
advancements in analytical techniques and methodologies, discovering bioactive leads from …

Biosynthesized graphene oxide nanoparticles: In-vitro comparative study for biomedical applications

IS Mohammed, D Hammoud, SH Alkhazraji, KH Jawad… - Plasmonics, 2024 - Springer
Graphene-based materials have been the subject of extensive research due to its
exceptional ability to kill a diverse array of microorganisms. The benefits of graphene-based …

Harnessing biotechnology for penicillin production: Opportunities and environmental considerations

MA Haque, ND Nath, TV Johnston, S Haruna… - Science of The Total …, 2024 - Elsevier
Since the discovery of antibiotics, penicillin has remained the top choice in clinical medicine.
With continuous advancements in biotechnology, penicillin production has become cost …

Industry 4.0 technologies adoption for digital transition in drug discovery and development: a review

A Anthwal, A Uniyal, J Gairolla, R Singh… - Journal of Industrial …, 2024 - Elsevier
At present, every nation is focused on meeting sustainable development goals (SDGs) by
2030 for social, economic, and environmental sustainability. Automation of drug discovery …

Machine learning-assisted substrate binding pocket engineering based on structural information

X Wang, K Xu, X Zeng, K Linghu, B Zhao… - Briefings in …, 2024 - academic.oup.com
Engineering enzyme–substrate binding pockets is the most efficient approach for modifying
catalytic activity, but is limited if the substrate binding sites are indistinct. Here, we developed …

Deciphering the lexicon of protein targets: a review on multifaceted drug discovery in the era of artificial intelligence

S Nandi, S Bhaduri, D Das, P Ghosh… - Molecular …, 2024 - ACS Publications
Understanding protein sequence and structure is essential for understanding protein–
protein interactions (PPIs), which are essential for many biological processes and diseases …