Halofuginone—the multifaceted molecule
M Pines, I Spector - Molecules, 2015 - mdpi.com
Halofuginone is an analog of febrifugine—an alkaloid originally isolated from the plant
Dichroa febrifuga. During recent years, halofuginone has attracted much attention because …
Dichroa febrifuga. During recent years, halofuginone has attracted much attention because …
Pharmaceutical prospects of naturally occurring quinazolinone and its derivatives
D He, M Wang, S Zhao, Y Shu, H Zeng, C Xiao, C Lu… - Fitoterapia, 2017 - Elsevier
Quinazolinones belong to a family of heterocyclic nitrogen compounds that have attracted
increasing interest because of their broad spectrum of biological functions. This review …
increasing interest because of their broad spectrum of biological functions. This review …
Anticancer Drug Discovery based on Natural products: from computational approaches to Clinical studies
Globally, malignancies cause one out of six mortalities, which is a serious health problem.
Cancer therapy has always been challenging, apart from major advances in …
Cancer therapy has always been challenging, apart from major advances in …
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening
PJ Ropp, JO Spiegel, JL Walker, H Green… - Journal of …, 2019 - Springer
Computational techniques such as structure-based virtual screening require carefully
prepared 3D models of potential small-molecule ligands. Though powerful, existing …
prepared 3D models of potential small-molecule ligands. Though powerful, existing …
In Silico and In Vivo Anti-Malarial Studies of 18β Glycyrrhetinic Acid from Glycyrrhiza glabra
Malaria is one of the most prevailing fatal diseases causing between 1.2 and 2.7 million
deaths all over the world each year. Further, development of resistance against the frontline …
deaths all over the world each year. Further, development of resistance against the frontline …
QSAR and docking based semi-synthesis and in vivo evaluation of artemisinin derivatives for antimalarial activity
D Kumar Yadav, S Dhawan, A Chauhan… - Current drug …, 2014 - ingentaconnect.com
To screen the active antimalarial novel artemisinin derivatives, a QSAR modeling approach
was used. QSAR model showed high correlation (r2= 0.83 and rCV2= 0.81) and indicated …
was used. QSAR model showed high correlation (r2= 0.83 and rCV2= 0.81) and indicated …
Pharmacophore modelling and molecular dynamics simulation to identify novel molecules targeting catechol-O-methyltransferase and dopamine d3 receptor to …
A Joy, S Menon, NM Thomas, M Christy, AD Menon… - Polymer Bulletin, 2024 - Springer
Parkinson's disease is a neurological illness that slowly impairs a small number of neurons
in the substantia nigra, a part of the brain. Dopamine, a substance (neurotransmitter) that …
in the substantia nigra, a part of the brain. Dopamine, a substance (neurotransmitter) that …
Combined pharmacophore, virtual screening and molecular dynamics studies to identify Bruton's tyrosine kinase inhibitors
S Sakthivel, SKM Habeeb - Journal of Biomolecular Structure and …, 2018 - Taylor & Francis
Bruton's tyrosine Kinase (BTK) is a cytoplasmic, non-receptor tyrosine kinase expressed in
hematopoietic cells. BTK plays a critical role in many cellular signalling pathways making it a …
hematopoietic cells. BTK plays a critical role in many cellular signalling pathways making it a …
Design, Synthesis, Mode of Action and Herbicidal Evaluation of Quinazolin-4(3H)-one Derivatives Based on Aryloxyphenoxypropionate Motif
C Wang, K Chen, N Li, S Fu, P Li, L Ji, G Liu, X Wang… - Agronomy, 2022 - mdpi.com
To discover new acetyl-CoA carboxylase (ACCase) inhibiting-based herbicides, twenty-nine
novel quinazolin-4 (3 H)-one derivatives were designed and synthesized based on the …
novel quinazolin-4 (3 H)-one derivatives were designed and synthesized based on the …
Pharmacophore-Based Virtual Screening Toward the Discovery of Novel GLUT1 Inhibitors
Y Tian, Y Li, X Zheng, Q Peng, S Shen - Journal of Computational …, 2022 - World Scientific
Glucose transporter 1 (GLUT1) plays an important role in the transport of glucose into cells.
Studies found that GLUT1 is highly expressed in a variety of tumor cells, and it's the rate …
Studies found that GLUT1 is highly expressed in a variety of tumor cells, and it's the rate …