In silico identification of 20S proteasome-β5 subunit inhibitors using structure-based virtual screening

OM El Yaagoubi, W Ezzemani, L Oularbi… - Journal of …, 2024 - Taylor & Francis
Proteasome inhibitors have effective anti-tumor activity in cell culture and can induce
apoptosis by interfering with the degradation of cell cycle proteins. 20S Proteasome is …

Pharmacophore-based virtual screening for identifying β5 subunit inhibitor of 20S proteasome

M Arba, A Nur-Hidayat, SI Surantaadmaja… - … Biology and Chemistry, 2018 - Elsevier
Proteasomal system plays an important role in maintaining cell homeostatis. Overexpression
of proteasomes leads to several major diseases, such as cancer and autoimmune disorder …

Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway

D Yadav, BN Mishra, F Khan - Journal of Biomolecular Structure …, 2020 - Taylor & Francis
The abnormal ubiquitin-proteasome is found as an important target in various human
diseases, especially in cancer, and recently it has received prevalent attention as a …

Computational approaches for the discovery of human proteasome inhibitors: An overview

RA Guedes, P Serra, JAR Salvador, RC Guedes - Molecules, 2016 - mdpi.com
Proteasome emerged as an important target in recent pharmacological research due to its
pivotal role in degrading proteins in the cytoplasm and nucleus of eukaryotic cells …

New scaffolds of proteasome inhibitors: boosting anticancer potential by exploiting the synergy of in silico and in vitro methodologies

RA Guedes, JH Grilo, AN Carvalho, PMP Fernandes… - Pharmaceuticals, 2023 - mdpi.com
Cancer is a complex multifactorial disease whose pathophysiology involves multiple
metabolic pathways, including the ubiquitin–proteasome system, for which several …

In silico structural, functional and virtual screening study against proteasome subunit alpha of Mycobacterium abscessus subsp. bolletii as a drug target

R Sahu, S Singh, B Gautam, PK Yadav - 2024 - researchsquare.com
Many studies and observations suggest proteasomes are multimeric proteolytic enzyme
complexes that play a central role in degradation of protein in animal cells. Several basic …

Rational design of novel phenol ether derivatives as non-covalent proteasome inhibitors through 3D-QSAR, molecular docking and ADMET prediction

M Yuan, H Ji, F Sun, Q Chen… - Exploration of Drug …, 2023 - explorationpub.com
Aim: The purpose of this paper is to use different structures and ligand-based drug design
methods properly to provide theoretical guidance for the design of novel non-covalent …

Combined Three Dimensional Quantitative Structure Activity Relationships (3D-QSAR) Modeling and Molecular Docking Studies on Naphthoquinone Analogs as …

G Xu, Z Zhou, F Li - Letters in Drug Design & Discovery, 2013 - ingentaconnect.com
Proteasome inhibitors have been proved to be effective in regulated intracellular proteolysis.
Three Dimensional Quantitative Structure Activity Relationships and Molecular docking …

Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations

A Li, H Sun, L Du, X Wu, J Cao, Q You, Y Li - Journal of molecular …, 2014 - Springer
The ubiquitin–proteasome pathway plays a pivotal role in the regulation of cellular protein
processing and degradation. Proteasome inhibitors (PIs) have enormous potential to treat …

[PDF][PDF] An Insilico Approach To Identify Better 20s Type Proteosomal Inhibitor Through Analysis Of Binding Affinity

M Sarmistha - Biofrontiers, 2009 - researchgate.net
Multiple myeloma is a most uncommon cancer of plasma cells found to be prevalent in
people aged over 65. It is caused by the degradation of I-кB an inhibitor of NF-кB cell by 26S …