Identifying the Molecular Mechanics and Binding Dynamics Characteristics of Potent Inhibitors to HIV‐1 Protease
Human immunodeficiency virus type 1 protease (HIV‐1 PR) is one of the primary inhibition
targets for chemotherapy of AIDS because of its critical role in the replication cycle of the …
targets for chemotherapy of AIDS because of its critical role in the replication cycle of the …
Molecular basis of differential selectivity of cyclobutyl-substituted imidazole inhibitors against CDKs: insights for rational drug design
SL Rath, S Senapati - PloS one, 2013 - journals.plos.org
Cyclin-dependent kinases (CDKs) belong to the CMGC subfamily of protein kinases and
play crucial roles in eukaryotic cell division cycle. At least seven different CDKs have been …
play crucial roles in eukaryotic cell division cycle. At least seven different CDKs have been …
Molecular dynamics simulation and experimental verification of the interaction between cyclin T1 and HIV-1 Tat proteins
K Asamitsu, T Hirokawa, Y Hibi, T Okamoto - PLoS One, 2015 - journals.plos.org
The viral encoded Tat protein is essential for the transcriptional activation of HIV proviral
DNA. Interaction of Tat with a cellular transcription elongation factor P-TEFb containing …
DNA. Interaction of Tat with a cellular transcription elongation factor P-TEFb containing …
How mutations can resist drug binding yet keep HIV-1 protease functional
R Appadurai, S Senapati - Biochemistry, 2017 - ACS Publications
Human immunodeficiency virus-1 (HIV-1) protease is an important drug target for acquired
immune deficiency syndrome therapy. Nearly 10 small molecule drugs have been approved …
immune deficiency syndrome therapy. Nearly 10 small molecule drugs have been approved …
[图书][B] Computational intelligence methods for bioinformatics and biostatistics
This volume contains a selection of the best contributions delivered at the 5th International
Meeting on Computational Intelligence Methods for Bioinformatics and Biostatistics (CIBB …
Meeting on Computational Intelligence Methods for Bioinformatics and Biostatistics (CIBB …
The Tat/P-TEFb protein-protein interaction determining transcriptional activation of HIV
K Asamitsu, T Okamoto - Current Pharmaceutical Design, 2017 - ingentaconnect.com
Human immunodeficiency virus type (HIV) transcription is crucial for its life cycle and is
primarily involved in the maintenance of viral latency. HIV transcription is regulated by both …
primarily involved in the maintenance of viral latency. HIV transcription is regulated by both …
A comparative study of HIV-1 and HTLV-I protease structure and dynamics reveals a conserved residue interaction network
P Rücker, AHC Horn, H Meiselbach, H Sticht - Journal of molecular …, 2011 - Springer
The two retroviruses human T-lymphotropic virus type I (HTLV-I) and human
immunodeficiency virus type 1 (HIV-1) are the causative agents of severe and fatal diseases …
immunodeficiency virus type 1 (HIV-1) are the causative agents of severe and fatal diseases …
Comparative analysis of the unbinding pathways of antiviral drug Indinavir from HIV and HTLV1 proteases by supervised molecular dynamics simulation
F Sohraby, H Aryapour - Plos one, 2021 - journals.plos.org
Determining the unbinding pathways of potential small molecule compounds from their
target proteins is of great significance for designing efficacious treatment solutions. One of …
target proteins is of great significance for designing efficacious treatment solutions. One of …
MD simulation of the Tat/Cyclin T1/CDK9 complex revealing the hidden catalytic cavity within the CDK9 molecule upon Tat binding
K Asamitsu, T Hirokawa, T Okamoto - Plos one, 2017 - journals.plos.org
In this study, we applied molecular dynamics (MD) simulation to analyze the dynamic
behavior of the Tat/CycT1/CDK9 tri-molecular complex and revealed the structural changes …
behavior of the Tat/CycT1/CDK9 tri-molecular complex and revealed the structural changes …
Kinetics of Bovine leukemia virus aspartic protease reveals its dimerization and conformational change
M Fló, F Carrión, N Olivero-Deibe, S Bianchi, M Portela… - Plos one, 2022 - journals.plos.org
The retropepsin (PR) of the Bovine leukemia virus (BLV) plays, as in other retroviruses, a
crucial role in the transition from the non-infective viral particle to the infective virion by …
crucial role in the transition from the non-infective viral particle to the infective virion by …