[PDF][PDF] Current status of COVID-19 therapies and drug repositioning applications

O Altay, E Mohammadi, S Lam, H Turkez, J Boren… - Iscience, 2020 - cell.com
The rapid and global spread of a new human coronavirus (SARS-CoV-2) has produced an
immediate urgency to discover promising targets for the treatment of COVID-19. Drug …

Is target-based drug discovery efficient? Discovery and “off-target” mechanisms of all drugs

A Sadri - Journal of Medicinal Chemistry, 2023 - ACS Publications
Target-based drug discovery is the dominant paradigm of drug discovery; however, a
comprehensive evaluation of its real-world efficiency is lacking. Here, a manual systematic …

Multiscale models quantifying yeast physiology: towards a whole-cell model

H Lu, EJ Kerkhoven, J Nielsen - Trends in Biotechnology, 2022 - cell.com
The yeast Saccharomyces cerevisiae is widely used as a cell factory and as an important
eukaryal model organism for studying cellular physiology related to human health and …

Current approaches and techniques in physiologically based pharmacokinetic (PBPK) modelling of nanomaterials

W Utembe, H Clewell, N Sanabria, P Doganis… - Nanomaterials, 2020 - mdpi.com
There have been efforts to develop physiologically based pharmacokinetic (PBPK) models
for nanomaterials (NMs). Since NMs have quite different kinetic behaviors, the applicability …

[HTML][HTML] A review of in silico toxicology approaches to support the safety assessment of cosmetics-related materials

MTD Cronin, SJ Enoch, JC Madden, JF Rathman… - Computational …, 2022 - Elsevier
In silico tools and resources are now used commonly in toxicology and to support the “Next
Generation Risk Assessment”(NGRA) of cosmetics ingredients or materials. This review …

Modeling polyzwitterion-based drug delivery platforms: A perspective of the current state-of-the-art and beyond

S Javan Nikkhah, M Vandichel - ACS Engineering Au, 2022 - ACS Publications
Drug delivery platforms are anticipated to have biocompatible and bioinert surfaces.
PEGylation of drug carriers is the most approved method since it improves water solubility …

A personalized pharmaco-epistatic network model of precision medicine

L Feng, W Yang, M Ding, L Hou, C Gragnoli, C Griffin… - Drug discovery today, 2023 - Elsevier
Highlights•Functional graph (FunGraph) theory emerges to map pharmacogenetic
architecture.•The core tenet of FunGraph is to combine functional mapping and evolutionary …

Molecular dynamics simulations for rationalizing polymer bioconjugation strategies: Challenges, recent developments, and future opportunities

J Kehrein, C Sotriffer - ACS Biomaterials Science & Engineering, 2023 - ACS Publications
The covalent modification of proteins with polymers is a well-established method for
improving the pharmacokinetic properties of therapeutically valuable biologics. The …

[PDF][PDF] From pharmacogenetics to pharmaco-omics: Milestones and future directions

C Auwerx, MC Sadler, A Reymond, Z Kutalik - Human Genetics and …, 2022 - cell.com
The origins of pharmacogenetics date back to the 1950s, when it was established that inter-
individual differences in drug response are partially determined by genetic factors. Since …

[HTML][HTML] Causal inference in drug discovery and development

T Michoel, JD Zhang - Drug discovery today, 2023 - Elsevier
Highlights•Causal inference combines model and data to identify causations from
correlations.•Causality is indispensable for intervention, what if questions, and …