Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

AA Lagunin, RK Goel, DY Gawande, P Pahwa… - Natural product …, 2014 - pubs.rsc.org
Covering: up to 2014 In silico approaches have been widely recognised to be useful for drug
discovery. Here, we consider the significance of available databases of medicinal plants and …

Medicinal plants used in the treatment of Malaria: A key emphasis to Artemisia, Cinchona, Cryptolepis, and Tabebuia genera

S Mohammadi, B Jafari, P Asgharian… - Phytotherapy …, 2020 - Wiley Online Library
Malaria is one of the life‐threatening parasitic diseases that is endemic in tropical areas. The
increased prevalence of malaria due to drug resistance leads to a high incidence of …

Artificial intelligence and big data facilitated targeted drug discovery

B Liu, H He, H Luo, T Zhang, J Jiang - Stroke and vascular neurology, 2019 - svn.bmj.com
Different kinds of biological databases publicly available nowadays provide us a goldmine
of multidiscipline big data. The Cancer Genome Atlas is a cancer database including …

QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα

S Alam, F Khan - Drug Design, Development and Therapy, 2014 - Taylor & Francis
Due to the high mortality rate in India, the identification of novel molecules is important in the
development of novel and potent anticancer drugs. Xanthones are natural constituents of …

Drug target identification in protozoan parasites

J Müller, A Hemphill - Expert opinion on drug discovery, 2016 - Taylor & Francis
Introduction: Despite the fact that diseases caused by protozoan parasites represent serious
challenges for public health, animal production and welfare, only a limited panel of drugs …

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 modeling, docking and ADMET studies for exploration of potential anti-malarial compounds against Plasmodium falciparum

T Qidwai - In Silico Pharmacology, 2017 - Springer
Abstract Development of resistance in the Plasmodium falciparum to Artemisinin, the most
effective anti-malarial compound, threatens malaria elimination tactics. To gain more …

New approaches for the identification of drug targets in protozoan parasites

J Müller, A Hemphill - International review of cell and molecular biology, 2013 - Elsevier
Antiparasitic chemotherapy is an important issue for drug development. Traditionally, novel
compounds with antiprotozoan activities have been identified by screening of compound …

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 …

Hepatotoxicity and lipid metabolism disorders of 8: 2 polyfluoroalkyl phosphate diester in zebrafish: In vivo and in silico evidence

P Chen, N Zhao, R Wang, G Chen, Y Hu, Z Dou… - Journal of Hazardous …, 2024 - Elsevier
2 polyfluoroalkyl phosphate diester (8: 2 diPAP) has been shown to accumulate in the liver,
but whether it induces hepatotoxicity and lipid metabolism disorders remains largely …