AI Article Synopsis

  • Malaria is a major global health issue, particularly in South-East Asia where traditional remedies using medicinal plants like Piper betle are common.
  • In this study, the compound allylpyrocatechol from Piper betle was confirmed to have anti-malarial effects when tested in living organisms using both injection and oral methods.
  • Researchers also synthesized related compounds to investigate which specific chemical structures contribute to the anti-malarial effectiveness of allylpyrocatechol.

Article Abstract

Malaria disease remains a serious worldwide health problem. In South-East Asia, one of the malaria infection "hot-spots," medicinal plants such as Piper betle have traditionally been used for the treatment of malaria, and allylpyrocatechol (1), a constituent of P. betle, has been shown to exhibit anti-malarial activities. In this study, we verified that 1 showed in vivo anti-malarial activity through not only intraperitoneal (i.p.) but also peroral (p.o.) administration. Additionally, some analogs of 1 were synthesized and the structure-activity relationship was analyzed to disclose the crucial sub-structures for the potent activity.

Download full-text PDF

Source
http://dx.doi.org/10.1248/cpb.c20-00294DOI Listing

Publication Analysis

Top Keywords

structure-activity relationship
8
piper betle
8
relationship anti-malarial
4
anti-malarial allylpyrocatechol
4
allylpyrocatechol isolated
4
isolated piper
4
betle malaria
4
malaria disease
4
disease remains
4
remains serious
4

Similar Publications

Ergosterol alleviates hepatic steatosis and insulin resistance via promoting fatty acid β-oxidation by activating mitochondrial ACSL1.

Cell Rep

January 2025

State Key Laboratory of Natural Medicines, School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, Jiangsu, China. Electronic address:

Sterols target sterol-sensing domain (SSD) proteins to lower cholesterol and circulating and hepatic triglyceride levels, but the mechanism remains unclear. In this study, we identify acyl-coenzyme A (CoA) synthetase long-chain family member 1 (ACSL1) as a direct target of ergosterol (ES). The C-terminal domain of ACSL1 undergoes conformational changes from closed to open, and ES may target the drug-binding pocket in the acetyl-CoA synthetase-like domain 1 (ASLD1) of ACSL1 to stabilize the closed conformation and maintain its activity.

View Article and Find Full Text PDF

In recent years, machine learning has gained substantial attention for its ability to predict complex chemical and biological properties, including those of pharmaceutical compounds. This study proposes a machine learning-based quantitative structure-property relationship (QSPR) model for predicting the physicochemical properties of anti-arrhythmia drugs using topological descriptors. Anti-arrhythmic drug development is challenging due to the complex relationship between chemical structure and drug efficacy.

View Article and Find Full Text PDF

Synthesis and discovery of simplified pleurotin analogs bearing tricyclic core as novel thioredoxin reductase inhibitors.

Eur J Med Chem

January 2025

Laboratory of Medicinal Chemical Biology, Department of Medicinal Chemistry, College of Pharmaceutical Sciences, Suzhou Medical College, Soochow University, 199 Ren'ai Road, Suzhou, 215123, PR China. Electronic address:

Pleurotin (1) is a benzoquinone meroterpenoid known for its wide-spectrum antitumor and antibiotic activities, notably acting as natural inhibitors of the thioredoxin reductase (TrxR). Pleurotin (1) has been chemically synthesized, but only in milligram quantities through at least 13 longest linear steps with 0.8 % overall yield due to its complex structure such as fused hexacyclic core with 8 contiguous stereocenters.

View Article and Find Full Text PDF

Synthesis, biological evaluation and validation of IMB-881 derivatives as anti-Gram-negative bacterial agents.

Bioorg Med Chem

January 2025

Beijing Key Laboratory of Technology and Application for Anti-Infective New Drugs Research and Development, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China. Electronic address:

Infectious diseases caused by drug-resistant bacteria represent one of the most significant global public challenges of this century. There is an urgent need for the treatment of drug-resistant Gram-negative bacterial infections. A series of 3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline derivatives were synthesized and evaluated for their antibacterial activity against Gram-negative bacteria including strains from ATCC and clinical isolates, initially revealing the structure-activity relationship.

View Article and Find Full Text PDF

Improving Molecular Design with Direct Inverse Analysis of QSAR/QSPR Model.

Mol Inform

January 2025

Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan.

Recent advances in machine learning have significantly impacted molecular design, notably the molecular generation method combining the chemical variational autoencoder (VAE) with Gaussian mixture regression (GMR). In this method, a mathematical model is constructed with X as the latent variable of the molecule and Y as the target properties and activities. Through direct inverse analysis of this model, it is possible to generate molecules with the desired target properties.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!