Network pharmacology approach for medicinal plants: review and assessment

F Noor, M Tahir ul Qamar, UA Ashfaq, A Albutti… - Pharmaceuticals, 2022 - mdpi.com
Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …

Polypharmacology: challenges and opportunities in drug discovery: miniperspective

A Anighoro, J Bajorath, G Rastelli - Journal of medicinal chemistry, 2014 - ACS Publications
At present, the legendary magic bullet, ie, a drug with high potency and selectivity toward a
specific biological target, shares the spotlight with an emerging and alternative …

Polypharmacology by design: a medicinal chemist's perspective on multitargeting compounds

E Proschak, H Stark, D Merk - Journal of medicinal chemistry, 2018 - ACS Publications
Multitargeting compounds comprising activity on more than a single biological target have
gained remarkable relevance in drug discovery owing to the complexity of multifactorial …

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

EB Lenselink, N Ten Dijke, B Bongers… - Journal of …, 2017 - Springer
The increase of publicly available bioactivity data in recent years has fueled and catalyzed
research in chemogenomics, data mining, and modeling approaches. As a direct result, over …

Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates

BC Doak, B Over, F Giordanetto, J Kihlberg - Chemistry & biology, 2014 - cell.com
The rule of 5 (Ro5) is a set of in silico guidelines applied to drug discovery to prioritize
compounds with an increased likelihood of high oral absorption. It has been influential in …

Diagnosing the decline in pharmaceutical R&D efficiency

JW Scannell, A Blanckley, H Boldon… - Nature reviews Drug …, 2012 - nature.com
The past 60 years have seen huge advances in many of the scientific, technological and
managerial factors that should tend to raise the efficiency of commercial drug research and …

Rational design of multitarget-directed ligands: strategies and emerging paradigms

J Zhou, X Jiang, S He, H Jiang, F Feng… - Journal of medicinal …, 2019 - ACS Publications
Due to the complexity of multifactorial diseases, single-target drugs do not always exhibit
satisfactory efficacy. Recently, increasing evidence indicates that simultaneous modulation …

Computational/in silico methods in drug target and lead prediction

FE Agamah, GK Mazandu, R Hassan… - Briefings in …, 2020 - academic.oup.com
Drug-like compounds are most of the time denied approval and use owing to the
unexpected clinical side effects and cross-reactivity observed during clinical trials. These …

Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review

P Csermely, T Korcsmáros, HJM Kiss, G London… - Pharmacology & …, 2013 - Elsevier
Despite considerable progress in genome-and proteome-based high-throughput screening
methods and in rational drug design, the increase in approved drugs in the past decade did …

[HTML][HTML] A molecular approach in drug development for Alzheimer's disease

S Agatonovic-Kustrin, C Kettle, DW Morton - Biomedicine & …, 2018 - Elsevier
An increase in dementia numbers and global trends in population aging across the world
prompts the need for new medications to treat the complex biological dysfunctions, such as …