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 …

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 …

Anticancer Drug Discovery based on Natural products: from computational approaches to Clinical studies

P Chunarkar-Patil, M Kaleem, R Mishra, S Ray… - Biomedicines, 2024 - mdpi.com
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 …

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 …

In Silico and In Vivo Anti-Malarial Studies of 18β Glycyrrhetinic Acid from Glycyrrhiza glabra

K Kalani, J Agarwal, S Alam, F Khan, A Pal… - PloS one, 2013 - journals.plos.org
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 …

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 …

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 …

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 …

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 …

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 …