Identification of potent and selective JAK1 lead compounds through ligand-based drug design approaches

S Babu, SK Nagarajan, S Sathish, VS Negi… - Frontiers in …, 2022 - frontiersin.org
JAK1 plays a significant role in the intracellular signaling by interacting with cytokine
receptors in different types of cells and is linked to the pathogenesis of various cancers and …

Identification of potent inhibitors of DNA methyltransferase 1 (DNMT1) through a pharmacophore-based virtual screening approach

S Krishna, S Shukla, AD Lakra, SM Meeran… - Journal of Molecular …, 2017 - Elsevier
DNA methylation is an epigenetic change that results in the addition of a methyl group at the
carbon-5 position of cytosine residues. DNA methyltransferase (DNMT) inhibitors can …

Construction of quantitative structure activity relationship (QSAR) Models to predict potency of structurally diversed janus kinase 2 inhibitors

S Simeon, N Jongkon - Molecules, 2019 - mdpi.com
Janus kinase 2 (JAK2) inhibitors represent a promising therapeutic class of anticancer
agents against many myeloproliferative disorders. Bioactivity data on pIC 50 of 2229 JAK2 …

Designing JAK2 Inhibitors Beyond Myeloproliferative Neoplasms‐Theoretical and Experimental Analysis for Solid Cancers

AS Achutha, S Krishna, VL Pushpa, D Harshini… - …, 2024 - Wiley Online Library
Somatic mutations in JAK2 have been reported to cause myeloproliferative neoplasms,
autoimmune disorders, rheumatoid arthritis, and inflammation. JAK2 protein with PDB id …

JAK inhibitors in immune-mediated rheumatic diseases: From a molecular perspective to clinical studies

M Sperti, M Malavolta, G Ciniero, S Borrelli… - Journal of Molecular …, 2021 - Elsevier
Abstract The Janus Kinase signalling pathway is implicated in the pathogenesis of immune-
related diseases. The potency of small-molecule Janus Kinase inhibitors in the treatment of …

Identification of novel IRAK-4 inhibitors through pharmacophore modeling, atom-based 3D-QSAR, docking strategies and molecular dynamics simulation

L Zhong, L Zhou, Y Tian, R You - Letters in Drug Design & …, 2016 - ingentaconnect.com
Interleukin-1 receptor-associated kinase 4 (IRAK-4) plays a pivotal role in signaling
cascades associated with the immune and inflammatory diseases. Regulation of IRAK-4 is …

Compounds and use thereof in the expansion of hematopoietic stem cells and/or hematopoietic progenitor cells

G Sauvageau, Y Gareau, S Gingras - US Patent 10,647,718, 2020 - Google Patents
Compounds of general formula or salts or prodrugs thereof, are provided and described
herein. The compounds are useful to expand hematopoietic stem cell and/or hematopoietic …