Results 111 to 120 of about 36,254 (282)
Ligand Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, Molecular Dynamic simulation and In-silico ADMET Studies for the Discovery of Potential BACE-1 Inhibitors [PDF]
, 2023 Usman Shareef +5 more
openalex +1 more source
Advanced Healthcare Materials, Volume 15, Issue 14, 10 April 2026.Antimicrobial peptide (AMP)‐loaded nanocarriers provide a multifunctional strategy to combat drug‐resistant Mycobacterium tuberculosis. By enhancing intracellular delivery, bypassing efflux pumps, and disrupting bacterial membranes, this platform restores phagolysosome fusion and macrophage function.
Christian S. Carnero Canales +11 more
wiley +1 more source
Virtual screening strategies in drug design – methods and applications [PDF]
, 2011 Virtual screening (VS) overcomes the limitations of traditional high-throughput screening (HTS) by applying computer-based methods in drug discovery. VS takes advantage of fast algorithms to filter chemical space and successfullyselect potential drug ...
Bielska, Ewa +5 more
core +3 more sources
Advanced Science, Volume 13, Issue 20, 9 April 2026.The diagram depicts the endothelial‐protective mechanism of magnesium lithospermate B (MLB) in sepsis‐associated lung injury. MLB binds GPX4 at Gly79, disrupts its interaction with FUNDC1, prevents mitophagy‐mediated GPX4 degradation, restores mitophagic flux, reduces ROS, and limits ferroptosis.
Zhixi Li +10 more
wiley +1 more source
Designing algorithms to aid discovery by chemical robots [PDF]
, 2018 Recently, automated robotic systems have become very efficient, thanks to improved coupling between sensor systems and algorithms, of which the latter have been gaining significance thanks to the increase in computing power over the past few decades ...
Cronin, Leroy +2 more
core +1 more source
Scientific Reports, 2018 In this study, pharmacophore based 3D QSAR models for human acetylcholinesterase (AChE) inhibitors were generated, with good significance, statistical values (r2training = 0.73) and predictability (q2training = 0.67).
Cheongyun Jang +10 more
semanticscholar +1 more source
Addiction Biology, Volume 31, Issue 4, April 2026.AT1R signaling drives addiction through interconnected pathways, and AT1R antagonists target multiple nodes for therapeutic effects. ABSTRACT Although the angiotensin II type 1 receptor (AT1R), a pivotal component of the renin–angiotensin system (RAS), is associated with cardiovascular and renal homeostasis, burgeoning evidence implicates its critical ...
Jianan Lv +7 more
wiley +1 more source
Prediction of Toxoplasma gondii virulence factor ROP18 competitive inhibitors by virtual screening
Parasites & Vectors, 2019 Background Rhoptry protein 18 (ROP18) is a key virulence factor of Toxoplasma gondii. The host’s immune responses mediated by immune-related GTPases (IRGs) could be blocked by ROP18’s kinase activity. ROP18 also interacts with various substrates, such as
Kun Yin +12 more
doaj +1 more source
The GPCR Connection: Linking Alzheimer's Disease and Glioblastoma
Journal of Cellular and Molecular Medicine, Volume 30, Issue 7, April 2026.ABSTRACT Alzheimer's disease (AD) and glioblastoma multiforme (GBM) are biologically distinct age‐related brain disorders with opposing clinical phenotypes. AD is characterised by progressive neurodegeneration and cognitive decline, whereas GBM is characterised by aggressive cellular proliferation and a poor prognosis.
Ana B. Caniceiro +4 more
wiley +1 more source
Drug Design, Development and Therapy, 2014 Can Chen,1,2,* Ting Wang,1,3,* Fengbo Wu,1,* Wei Huang,4 Gu He,1 Liang Ouyang,1 Mingli Xiang,1 Cheng Peng,4 Qinglin Jiang1,2 1State Key Laboratory of Biotherapy and Department of Pharmacy, West China Hospital, Sichuan University, Chengdu, 2College of ...
Chen C +8 more
doaj