[HTML][HTML] Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl ester as ATP-competitive inhibitors of BRAF: A bioinformatics study
Serine/threonine-protein kinase B-raf (BRAF) plays a significant role in regulating cell
division and proliferation through MAPK/ERK pathway. The constitutive expression of wild …
division and proliferation through MAPK/ERK pathway. The constitutive expression of wild …
Molecular Dynamics and Docking Simulations of Homologous RsmE Methyltransferases Hints at a General Mechanism for Substrate Release upon Uridine …
A Hernández-Cid, J Lozano-Aponte… - International Journal of …, 2023 - mdpi.com
In this study, molecular dynamics (MD) and docking simulations were carried out on the
crystal structure of Neisseria Gonorrhoeae RsmE aiming at free energy of binding estimation …
crystal structure of Neisseria Gonorrhoeae RsmE aiming at free energy of binding estimation …
Non‐peptide‐based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies
Abstract A series of 2‐oxo‐2‐phenylethylidene linked 2‐oxo‐benzo [1, 4] oxazine
analogues 17a–x and 18a–o, incorporated with a variety of electron‐withdrawing as well as …
analogues 17a–x and 18a–o, incorporated with a variety of electron‐withdrawing as well as …
[PDF][PDF] Exploring Novel Inhibitors for Rheumatoid Arthritis: Employing Computational Modeling to Analyze Cys909 in Janus Kinase 3 and Cytochrome P450 3A4 …
This work aimed to find new inhibitors of the CYP3A4 and JAK3 enzymes, which are
significant players in autoimmune diseases such as rheumatoid arthritis. Advanced …
significant players in autoimmune diseases such as rheumatoid arthritis. Advanced …
Alignment-independent 3D-QSAR and molecular docking studies of tacrine− 4-oxo-4H-Chromene hybrids as anti-Alzheimer's agents
E Manouchehrizadeh, A Mostoufi, E Tahanpesar… - … Biology and Chemistry, 2019 - Elsevier
A series of novel tacrine derivatives as multifunctional agents with potential inhibitory effects
on both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes for the …
on both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes for the …
Identification and in silico screening of natural phloroglucinols as potential PI3Kα inhibitors: A computational approach for drug discovery
Breast cancer is the biggest cause of death among women worldwide. Natural chemicals
from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris …
from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris …
Understanding ligands driven mechanism of wild and mutant aryl hydrocarbon receptor in presence of phytochemicals combating Parkinson's disease: an in silico and …
Abstract Aryl Hydrocarbon Receptor (AhR) is a key player to regulate the expression of a
group of enzymes known as cytochrome P450s (CYPs) super family (CYP1A1, CYP1B1 …
group of enzymes known as cytochrome P450s (CYPs) super family (CYP1A1, CYP1B1 …
Molecular Docking Analysis of the Phytochemicals from Tinospora Cordifolia as Potential Inhibitor Against Multi Targeted SARS-CoV-2 & Cytokine Storm
D Panigrahi - Journal of Computational Biophysics and Chemistry, 2021 - World Scientific
Severe acute respiratory syndrome coronavirus (SARS-CoV)-2, a novel coronavirus, is a
member of the Coronoviridae family that has spread worldwide. Developing efficacious …
member of the Coronoviridae family that has spread worldwide. Developing efficacious …
A comprehensive review of phytochemicals of Withania somnifera (L.) Dunal (Solanaceae) as antiviral therapeutics
Viruses have caused millions and billions of infections and high mortality rates without
successful immunization due to a lack of antiviral drugs approved for clinical use. Therefore …
successful immunization due to a lack of antiviral drugs approved for clinical use. Therefore …
Virtual screening, molecular docking and in silico ADME-Tox analysis for identification of potential main protease (Mpro) enzyme inhibitors
D Panigrahi, GP Mishra - Anti-Infective Agents, 2021 - ingentaconnect.com
Objective: Recent pandemic caused by the SARS-CoV-2, first described in Wuhan city of
China in December 2019, spread widely in almost all the countries of the world. Coronavirus …
China in December 2019, spread widely in almost all the countries of the world. Coronavirus …