The role of p21-activated kinases in cancer and beyond: where are we heading?
H Liu, K Liu, Z Dong - Frontiers in cell and developmental biology, 2021 - frontiersin.org
The p21-activated kinases (PAKs), downstream effectors of Ras-related Rho GTPase Cdc42
and Rac, are serine/threonine kinases. Biologically, PAKs participate in various cellular …
and Rac, are serine/threonine kinases. Biologically, PAKs participate in various cellular …
Improved Protein Dynamics and Hydration in the Martini3 Coarse-Grain Model
The Martini coarse-grain force-field has emerged as an important framework to probe
cellular processes at experimentally relevant time-and length-scales. However, the recently …
cellular processes at experimentally relevant time-and length-scales. However, the recently …
Watermap and molecular dynamic simulation-guided discovery of potential PAK1 inhibitors using repurposing approaches
p21-Activated kinase 1 (PAK1) is positioned at the nexus of several oncogenic signaling
pathways. Currently, there are no approved inhibitors for disabling the transfer of phosphate …
pathways. Currently, there are no approved inhibitors for disabling the transfer of phosphate …
Investigation of translation initiation factor through protein–protein interactions and molecular dynamics approaches
P Jayaprakash, J Biswal, CJ Pandian… - Molecular …, 2023 - Taylor & Francis
ABSTRACT A crucial biological process that involves both transcription and translation is
protein synthesis. While, the translation mechanism endures protein synthesis with the help …
protein synthesis. While, the translation mechanism endures protein synthesis with the help …
A computational approach to explore and identify potential herbal inhibitors for the p21-activated kinase 1 (PAK1)
M Shahinozzaman, T Ishii, S Ahmed… - Journal of …, 2020 - Taylor & Francis
The oncogenic kinase PAK1 (p21-activated kinase 1) is involved in developing many
diseases including cancers, neurofibromatosis, Alzheimer's disease, diabetes (type 2), and …
diseases including cancers, neurofibromatosis, Alzheimer's disease, diabetes (type 2), and …
Designing of potent anti-diabetic molecules by targeting SIK2 using computational approaches
P Jayaprakash, J Biswal, R Rangaswamy… - Molecular Diversity, 2023 - Springer
Diabetes mellitus (DM) is one of the major health problems worldwide. WHO have estimated
that 439 million people may have DM by the year 2030. Several classes of drugs such as …
that 439 million people may have DM by the year 2030. Several classes of drugs such as …
Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approaches
J Prajisha, J Biswal, J Jeyakanthan - Journal of Biomolecular …, 2022 - Taylor & Francis
Diabetes is recognized as a major health problem and according to WHO estimates global
prevalence of diabetes is expected to increase from 171 million in 2000 to 366 million in …
prevalence of diabetes is expected to increase from 171 million in 2000 to 366 million in …
Synergistic effects of hydration sites in protein stability: a theoretical water thermodynamics approach
J Biswal, P Jayaprakash, R Rangaswamy… - Frontiers in Protein …, 2020 - Springer
The hydrating water molecules play a crucial role in enhancing the structural stability,
protein folding, and competition with the ligand for its occupancy at the binding site. This …
protein folding, and competition with the ligand for its occupancy at the binding site. This …
Water Mapping and Scoring Approaches to Predict the Role of Hydration Sites in the Binding Affinity of PAK1 Inhibitors
Aim: This study aims to develop and establish a computational model that can identify potent
molecules for p21-activating kinase 1 (PAK1) Background: PAK1 is a well-established drug …
molecules for p21-activating kinase 1 (PAK1) Background: PAK1 is a well-established drug …
Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling …
Dengue hemorrhagic fever (DHF) is severe dengue with a hallmark of vascular leakage. β-
tryptase has been found to promote vascular leakage in DHF patients, which could be a …
tryptase has been found to promote vascular leakage in DHF patients, which could be a …