Conformation of BCL-XL upon membrane integration

Y Yao, LM Fujimoto, N Hirshman, AA Bobkov… - Journal of molecular …, 2015 - Elsevier
BCL-XL is an anti-apoptotic BCL-2 family protein found both in the cytosol and bound to
intracellular membranes. Structural studies of BCL-XL have advanced by deleting its …

Targeting γ-herpesvirus 68 Bcl-2-mediated down-regulation of autophagy

M Su, Y Mei, R Sanishvili, B Levine, CL Colbert… - Journal of Biological …, 2014 - ASBMB
γ-herpesviruses (γHVs) are common human pathogens that encode homologs of the anti-
apoptotic cellular Bcl-2 proteins, which are critical to viral reactivation and oncogenic …

Natural polyphenolic inhibitors against the antiapoptotic BCL-2

S Verma, A Singh, A Kumari, C Tyagi… - Journal of Receptors …, 2017 - Taylor & Francis
The apoptotic mechanism is regulated by the BCL-2 family of proteins, such as BCL-2 or Bcl-
xL, which block apoptosis while Bad, Bak, Bax, Bid, Bim or Hrk induce apoptosis. The …

Phytosterols and triterpenes from Morinda lucida Benth (Rubiaceae) as potential inhibitors of anti-apoptotic BCL-XL, BCL-2, and MCL-1: an in-silico study

KE Adewole, AA Ishola - Journal of Receptors and Signal …, 2019 - Taylor & Francis
Deregulation of the normal cellular apoptotic function is a fundamental element in the
etiology of most cancers and the anti-apoptotic B cell lymphoma 2 (BCL‑2) protein family is …

Complex disruption effect of natural polyphenols on Bcl-2-Bax: molecular dynamics simulation and essential dynamics study

S Verma, A Singh, A Mishra - Journal of Biomolecular Structure and …, 2015 - Taylor & Francis
Apoptosis (programmed cell death) is a process by which cells died after completing
physiological function or after a severe genetic damage. Apoptosis is mainly regulated by …

Molecular Dynamics and Machine Learning reveal distinguishing mechanisms of Competitive Ligands to perturb α, β-Tubulin

D Basu, SG Dastidar - Computational Biology and Chemistry, 2024 - Elsevier
The mechanisms of action of ligands competing for the Colchicine Binding Site (CBS) of the
α, β-Tubulin are non-standard compared to the commonly witnessed ligand-induced …

Flexibility enables to discriminate between ligands: Lessons from structural ensembles of Bcl-xl and Mcl-1

A Maity, S Majumdar, SG Dastidar - Computational Biology and Chemistry, 2018 - Elsevier
The proteins of Bcl-2 family, which are promising anti-cancer-drug targets, have substantial
similarity in primary sequence and share homologous domains as well as similar structural …

Target the more druggable protein states in a highly dynamic protein–protein interaction system

Z Guo, A Thorarensen, J Che… - Journal of Chemical …, 2016 - ACS Publications
The proteins of the Bcl-2 family play key roles in the regulation of programmed cell death by
controlling the integrity of the outer mitochondrial membrane and the initiation of the …

Impact of Deamidation on the Structure and Function of Antiapoptotic Bcl-xL

G Tanriver, G Monard, S Catak - Journal of Chemical Information …, 2021 - ACS Publications
Bcl-xL is an antiapoptotic mitochondrial trans-membrane protein, which is known to play a
crucial role in the survival of tumor cells. The deamidation of Bcl-xL is a pivotal switch that …

Interactions between Bcl-xl and its inhibitors: Insights into ligand design from molecular dynamics simulation

P Priya, A Maity, S Majumdar, SG Dastidar - Journal of Molecular Graphics …, 2015 - Elsevier
The Bcl-xl protein is a potential drug target for cancer, and it has a relatively flat and flexible
binding pocket. ABT263 is one of the most promising molecules that inhibit Bcl-xl, and it was …