Structural diversity of the CE-clan proteases in bacteria to disarm host ubiquitin defenses

L Sánchez-Alba, H Borràs-Gas, G Huang… - Trends in Biochemical …, 2024 - cell.com
Ubiquitin (Ub) and ubiquitin-like (UbL) modifications are critical regulators of multiple
cellular processes in eukaryotes. These modifications are dynamically controlled by …

Repurposing anti-dengue compounds against monkeypox virus targeting core cysteine protease

M Imran, Abida, NM Alotaibi, HK Thabet, JA Alruwaili… - Biomedicines, 2023 - mdpi.com
The monkeypox virus (MPXV) is an enveloped, double-stranded DNA virus belonging to the
genus Orthopox viruses. In recent years, the virus has spread to countries where it was …

Molecular modeling unveils the effective interaction of B-RAF inhibitors with rare B-RAF insertion variants

MC Scaini, L Piccin, D Bassani, A Scapinello… - International Journal of …, 2023 - mdpi.com
The Food and Drug Administration (FDA) has approved MAPK inhibitors as a treatment for
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …

A comprehensive study of SARS-CoV-2 main protease (Mpro) inhibitor-resistant mutants selected in a VSV-based system

F Costacurta, A Dodaro, D Bante, H Schöppe… - Plos …, 2024 - journals.plos.org
Nirmatrelvir was the first protease inhibitor specifically developed against the SARS-CoV-2
main protease (3CLpro/Mpro) and licensed for clinical use. As SARS-CoV-2 continues to …

A Review of Drug-related Associations Prediction Based on Artificial Intelligence Methods

M Ma, X Lei, Y Zhang - Current Bioinformatics, 2024 - ingentaconnect.com
Background: Predicting drug-related associations is an important task in drug development
and discovery. With the rapid advancement of high-throughput technologies and various …

Exploring the Traditional Chinese Medicine (TCM) database chemical space to target I7L protease from monkeypox virus using molecular screening and simulation …

A Khan, M Shahab, F Nasir, Y Waheed… - SAR and QSAR in …, 2023 - Taylor & Francis
In the current study, we used molecular screening and simulation approaches to target I7L
protease from monkeypox virus (mpox) from the Traditional Chinese Medicines (TCM) …

Hydrophobic substrate binding pocket remodeling of echinocandin B deacylase based on multi-dimensional rational design

H Tang, H Zhu, Y Huang, Z Wu, S Zou, Z Liu… - International Journal of …, 2024 - Elsevier
Actinoplanes utahensis deacylase (AAC)-catalyzed deacylation of echinocandin B (ECB) is
a promising method for the synthesis of anidulafungin, the newest of the echinocandin …

Unlocking the Secret Vault of Promising Drug Targets from Mpox Proteome-A Computational Approach

H Tiwari, S Sharma, A Dixit, R Kumar, K Fatima… - 2024 - researchsquare.com
Mpox (previously known as Monkeypox) is an infectious disease caused by the monkeypox
virus that can be lethal and is a serious hazard to public health. Despite various efforts to …