[HTML][HTML] Key topics in molecular docking for drug design

PHM Torres, ACR Sodero, P Jofily… - International journal of …, 2019 - mdpi.com
Molecular docking has been widely employed as a fast and inexpensive technique in the
past decades, both in academic and industrial settings. Although this discipline has now had …

Fragment-based drug discovery: advancing fragments in the absence of crystal structures

DA Erlanson, BJ Davis, W Jahnke - Cell Chemical Biology, 2019 - cell.com
Fragment-based drug discovery typically requires an interplay between screening methods,
structural methods, and medicinal chemistry. X-ray crystallography is generally the method …

Insights of crosstalk between p53 protein and the MKK3/MKK6/p38 MAPK signaling pathway in cancer

L Stramucci, A Pranteda, G Bossi - Cancers, 2018 - mdpi.com
TP53 is universally recognized as a pivotal protein in cell-cycle fate and apoptotic induction
and, unsurprisingly, it is one of the most commonly hijacked control mechanisms in cancer …

Covalent docking identifies a potent and selective MKK7 inhibitor

A Shraga, E Olshvang, N Davidzohn, P Khoshkenar… - Cell Chemical …, 2019 - cell.com
The c-Jun NH2-terminal kinase (JNK) signaling pathway is central to the cell response to
stress, inflammatory signals, and toxins. While selective inhibitors are known for JNKs and …

Anthocyanins and their gut metabolites attenuate monocyte adhesion and transendothelial migration through nutrigenomic mechanisms regulating endothelial cell …

I Krga, R Tamaian, S Mercier, C Boby… - Free Radical Biology …, 2018 - Elsevier
Cardioprotective effects of dietary anthocyanins are partly attributed to their ability to
maintain endothelial function. However, the underlying cellular and molecular mechanisms …

Fragment-to-Lead Medicinal Chemistry Publications in 2016: Miniperspective

CN Johnson, DA Erlanson, W Jahnke… - Journal of medicinal …, 2017 - ACS Publications
The popularity of fragment-based drug discovery (FBDD) is demonstrated by the number of
recent successful fragment-to-lead (F2L) publications. This Miniperspective provides a …

[HTML][HTML] Personalizing Therapy Outcomes through Mitogen-Activated Protein Kinase Pathway Inhibition in Non-Small Cell Lung Cancer

H Alsharoh, P Chiroi, E Isachesku, RA Tanasa, OL Pop… - Biomedicines, 2024 - mdpi.com
Lung cancer (LC) is a highly invasive malignancy and the leading cause of cancer-related
deaths, with non-small cell lung cancer (NSCLC) as its most prevalent histological subtype …

MKK3 sustains cell proliferation and survival through p38DELTA MAPK activation in colorectal cancer

L Stramucci, A Pranteda, A Stravato, CA Amoreo… - Cell death & …, 2019 - nature.com
Colorectal cancer (CRC) is one of the most common malignant tumors worldwide and
understanding its underlying molecular mechanisms is crucial for the development of …

Unravelling the role of kinases that underpin androgen signalling in prostate cancer

KJ Miller, M Asim - Cells, 2022 - mdpi.com
The androgen receptor (AR) signalling pathway is the key driver in most prostate cancers
(PCa), and is underpinned by several kinases both upstream and downstream of the AR …

Repurposed AT9283 triggers anti-tumoral effects by targeting MKK3 oncogenic functions in Colorectal Cancer

V Piastra, F Ganci, A Sacconi, A Pranteda… - Journal of Experimental …, 2024 - Springer
Background Colorectal cancer (CRC) is the third most common type of cancer and the
second leading cause of cancer-related deaths worldwide, with a survival rate near to 10 …