CYP1A inhibitors: Recent progress, current challenges, and future perspectives

Z Dai, Y Wu, Y Xiong, J Wu, M Wang… - Medicinal Research …, 2024 - Wiley Online Library
Abstract Mammalian cytochrome P450 1A (CYP1A) are key phase I xenobiotic‐metabolizing
enzymes that play a distinctive role in metabolic activation or metabolic clearance of a …

Antimicrobial peptides as drugs with double response against Mycobacterium tuberculosis coinfections in lung cancer

G Polinário, LMDG Primo, MABC Rosa… - Frontiers in …, 2023 - frontiersin.org
Tuberculosis and lung cancer are, in many cases, correlated diseases that can be confused
because they have similar symptoms. Many meta-analyses have proven that there is a …

Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting peptide …

T Joshi, T Joshi, P Sharma, S Chandra… - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract Xanthomonas oryzae pv. Oryzae (Xoo) causes bacterial leaf blight (BLB) of rice
which results in a huge loss in production. Many chemicals are used to control BLB disease …

Antibacterial Effect and Mode of Action of Flavonoids From Licorice Against Methicillin-Resistant Staphylococcus aureus

SC Wu, ZQ Yang, F Liu, WJ Peng, SQ Qu, Q Li… - Frontiers in …, 2019 - frontiersin.org
Staphylococcus aureus is a bacterial pathogen that causes food poisoning, various
infections, and sepsis. Effective strategies and new drugs are needed to control S. aureus …

Design of novel quinoline derivatives as antibreast cancer using 3D-QSAR, molecular docking and pharmacokinetic investigation

S El Rhabori, A El Aissouq, S Chtita, F Khalil - Anti-Cancer Drugs, 2022 - journals.lww.com
Breast cancer has been one of the most challenging women's cancers and leading cause of
mortality for decades. There are several studies being conducted all the time to find a cure …

Microwave-assisted click synthesis, characterisation, and In silico studies of novel 2H-chromene-1, 2, 3-triazolyl glycoconjugates as potent anticancer and …

BS Panda, MA Ahemad, S Mohapatra, E Naik… - Journal of Molecular …, 2024 - Elsevier
A series of novel 2H-chromene-1, 2, 3-triazolyl glycoconjugates 10a-w were synthesized,
well characterized and evaluated for their in vitro antimicrobial and anticancer activities …

[HTML][HTML] Computational simulations identified two candidate inhibitors of Cdk5/p25 to abrogate tau-associated neurological disorders

A Zeb, M Son, S Yoon, JH Kim, SJ Park… - Computational and …, 2019 - Elsevier
Deregulation of Cdk5 is a hallmark in neurodegenerative diseases and its complex with p25
forms Cdk5/p25, thereby causes severe neuropathological insults. Cdk5/p25 abnormally …

Ensembling machine learning models to boost molecular affinity prediction

M Druchok, D Yarish, S Garkot, T Nikolaienko… - … Biology and Chemistry, 2021 - Elsevier
This study unites six popular machine learning approaches to enhance the prediction of a
molecular binding affinity between receptors (large protein molecules) and ligands (small …

Therapeutic potential of human serum albumin nanoparticles encapsulated actinonin in murine model of lung adenocarcinoma

P Ahlawat, K Phutela, A Bal, N Singh, S Sharma - Drug Delivery, 2022 - Taylor & Francis
Non-small cell lung cancer comprises 85% of the global lung cancer cases. Conventional
chemotherapeutics possess certain limitations like systemic toxicity and drug resistance that …

The discovery of novel BCR-ABL tyrosine kinase inhibitors using a pharmacophore modeling and virtual screening approach

TT Huang, X Wang, SJ Qiang, ZN Zhao… - Frontiers in Cell and …, 2021 - frontiersin.org
Chronic myelogenous leukemia (CML) typically results from a reciprocal translocation
between chromosomes 9 and 22 to produce the bcr-abl oncogene that when translated …