Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies
Structure-based pharmacophore approaches have become widely used in drug discovery
and design. This can be attributed to the development of new tools and methods over the …
and design. This can be attributed to the development of new tools and methods over the …
Identification of potential Akt activators: a ligand and structure-based computational approach
The Akt pathway plays a significant role in various diseases like Alzheimer's, Parkinson's,
and Diabetes. Akt is the central protein whose phosphorylation controls many downstream …
and Diabetes. Akt is the central protein whose phosphorylation controls many downstream …
Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach
JM Jayaraj, E Reteti, C Kesavan… - Journal of Biomolecular …, 2021 - Taylor & Francis
Vitamin D deficiency is one of the common clinical symptoms of severe chronic kidney
disease (CKD) patients. Vitamin D receptor (VDR) is a part of the nuclear receptor family …
disease (CKD) patients. Vitamin D receptor (VDR) is a part of the nuclear receptor family …
Identification of novel inhibitors against Mycobacterium tuberculosis L-alanine dehydrogenase (MTB-AlaDH) through structure-based virtual screening
Mycobacterium tuberculosis (MTB) the etiological agent of tuberculosis (TB) survives in the
human host for decades evading the immune system in a latent or persistent state. The …
human host for decades evading the immune system in a latent or persistent state. The …
Vitamin D receptor-targeted treatment to prevent pathological dedifferentiation of pancreatic β cells under hyperglycaemic stress
AN John, Z Iqbal, S Colley, G Morahan… - Diabetes & …, 2018 - Elsevier
Dedifferentiation has been identified as one of the causes of β-cell failure resulting in type 2
diabetes (T2D). This study tested whether increasing vitamin D receptor (VDR) expression …
diabetes (T2D). This study tested whether increasing vitamin D receptor (VDR) expression …
Mechanistic insights into the role of vitamin D and computational identification of potential lead compounds for Parkinson's disease
J John Marshal, BB Kuriakose… - Journal of Cellular …, 2023 - Wiley Online Library
Parkinson's disease (PD) is the second most common neurodegenerative disorder that
affects dopaminergic neurons in the midbrain. A recent study suggests that Orphan Nuclear …
affects dopaminergic neurons in the midbrain. A recent study suggests that Orphan Nuclear …
Computational sampling and simulation based assessment of novel Mycobacterium tuberculosis glutamine synthetase inhibitors: Study involving structure based drug …
P Suryadevara, P Yogeeswari, V Soni… - Current topics in …, 2016 - ingentaconnect.com
The highly persistent nature of Mycobacterium tuberculosis can be attributed to its lipophilic
cell wall which acts as a major barrier in the process of drug discovery against tuberculosis …
cell wall which acts as a major barrier in the process of drug discovery against tuberculosis …
Structural and functional insights on vitamin D receptor and CYP24A1 deleterious single nucleotide polymorphisms: A computational and pharmacogenomics …
JM Jayaraj, BB Kuriakose, AH Alhazmi… - Cell Biochemistry …, 2021 - Wiley Online Library
The development of chronic kidney disease (CKD) drugs remains a challenge due to the
variations in the genes. The vitamin D receptor (VDR) and Cytochrome 24A1 (CYP24A1) …
variations in the genes. The vitamin D receptor (VDR) and Cytochrome 24A1 (CYP24A1) …
Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase
Dehydroquinate dehydratase (DHQase), the third enzyme of the shikimate pathway,
catalyzes the reversible reaction of 3-dehydroquinate into 3-dehydroshikimate. The aim of …
catalyzes the reversible reaction of 3-dehydroquinate into 3-dehydroshikimate. The aim of …
Design of Novel Mycobacterium tuberculosis Pantothenate Synthetase Inhibitors: Virtual Screening, Synthesis and In Vitro Biological Activities
Pantothenate synthetase (PS) enzyme involved in the pantothenate biosynthetic pathway is
essential for the virulence and persistent growth of Mycobacterium tuberculosis (MTB). It is …
essential for the virulence and persistent growth of Mycobacterium tuberculosis (MTB). It is …