In silico studies in drug research against neurodegenerative diseases

FR Makhouri, JB Ghasemi - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …

Hibiscus sabdariffa anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular …

YB Laskar, PB Mazumder… - Journal of Biomolecular …, 2023 - Taylor & Francis
The estrogen hormone receptor (ER) mediated gene expression mainly regulate the
development and physiology of the primary and secondary reproductive system alongside …

[HTML][HTML] Development of the Adverse Outcome Pathway (AOP): chronic binding of antagonist to N-methyl-d-aspartate receptors (NMDARs) during brain development …

M Sachana, A Rolaki, A Bal-Price - Toxicology and Applied Pharmacology, 2018 - Elsevier
Abstract The Adverse Outcome Pathways (AOPs) are designed to provide mechanistic
understanding of complex biological systems and pathways of toxicity that result in adverse …

Patent landscape for discovery of promising acyltransferase DGAT and MGAT inhibitors

VP Zambre, SM Khamkar, DD Gavhane… - Expert Opinion on …, 2020 - Taylor & Francis
Introduction DGAT and MGAT enzymes play an important role in triacylglycerol (TGA)
biosynthesis. Overexpression of these enzymes may lead to accumulation of TGA in adipose …

3D-QSAR and Pharmacophore modeling of 3, 5-disubstituted indole derivatives as Pim kinase inhibitors

BD Varpe, SB Jadhav, BC Chatale, AS Mali… - Structural Chemistry, 2020 - Springer
Indole derivatives are reported in the literature for their excellent kinase inhibition activity, so
understanding their structural requirement is important. For their further development, ligand …

Profiling the interaction mechanism of indole-based derivatives targeting the HIV-1 gp120 receptor

J Wang, Y Li, Y Yang, J Zhang, J Du, S Zhang… - RSC Advances, 2015 - pubs.rsc.org
A glycoprotein exposed on a viral surface, human immunodeficiency virus type 1 (HIV-1)
gp120 is essential for virus entry into cells as it plays a vital role in seeking out specific cell …

Discovery of monocarbonyl curcumin hybrids as a novel class of human DNA ligase I inhibitors: in silico design, synthesis and biology

D Mandalapu, DK Singh, S Gupta, VM Balaramnavar… - RSC …, 2016 - pubs.rsc.org
A pharmacophore model was generated and validated by using known human DNA ligase
inhibitors for the identification of a novel series of monocarbonyl curcumin–thiourea/thiazole …

Comprehensive QSAR studies reveal structural insights into the NR2B subtype selective benzazepine derivatives as N-Methyl-D-Aspartate receptor antagonists

VP Zambre, RB Patil, JN Sangshetti… - Journal of Molecular …, 2019 - Elsevier
NMDA receptors are considered as high profile therapeutic target in the treatment of pain
and neurodegenerative diseases such as Alzheimer's, Huntington's and Parkinson's …

Adverse outcome pathway on chronic binding of antagonist to N-methyl-D-aspartate receptors (NMDARs) during brain development induces impairment of learning …

M Sachana, S Munn, A Bal-Price - 2016 - oecd-ilibrary.org
It is well documented and accepted that learning and memory processes rely on
physiological functioning of the glutamate receptor N-methyl-D-aspartate (NMDAR). Both …

Assessment of Structural Basis for Thiazolopyridine Derivatives as DNA Gyrase-B Inhibitors

VP Zambre, NN Petkar, VP Dewoolkar… - Current Drug …, 2023 - ingentaconnect.com
Background: Tuberculosis (TB) is one of the leading causes of death in the post-COVID-19
era. It has been observed that there is a devastating condition with a 25-30% increase in TB …