New advances in the pharmacology and toxicology of lithium: a neurobiologically oriented overview

A Bortolozzi, G Fico, M Berk, M Solmi, M Fornaro… - Pharmacological …, 2024 - ASPET
Over the last six decades, lithium has been considered the gold standard treatment for the
long-term management of bipolar disorder due to its efficacy in preventing both manic and …

Recent advances in the development of P2Y14R inhibitors: a patent and literature review (2018-present)

K Wang, F Zhong, ZD Zhang, HQ Li… - Expert Opinion on …, 2024 - Taylor & Francis
ABSTRACT Introduction The P2Y14 receptor (P2Y14R), a member of the G protein-coupled
receptor family, is activated by extracellular nucleotides. Due to its involvement in …

Identification of novel NLRP3 inhibitors as therapeutic options for epilepsy by machine learning-based virtual screening, molecular docking and biomolecular …

M Zulfat, MA Hakami, AM Hazazi, A Mahmood… - Heliyon, 2024 - cell.com
The NOD-Like Receptor Protein-3 (NLRP3) inflammasome is a key therapeutic target for the
treatment of epilepsy and has been reported to regulate inflammation in several …

Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking

J Zhu, H Meng, X Li, L Jia, L Xu, Y Cai, Y Chen… - … Biology and Chemistry, 2024 - Elsevier
Extensive research has accumulated which suggests that phosphatidylinositol 3-kinase
delta (PI3Kδ) is closely related to the occurrence and development of various human …

Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target

A Ajmal, HA Alkhatabi, RM Alreemi, MA Alamri… - BMC chemistry, 2024 - Springer
Lung cancer is a disease with a high mortality rate and it is the number one cause of cancer
death globally. Approximately 12–14% of non-small cell lung cancers are caused by …

In Silico Prediction of New Inhibitors for Kirsten Rat Sarcoma G12D Cancer Drug Target Using Machine Learning-Based Virtual Screening, Molecular Docking, and …

A Ajmal, M Danial, M Zulfat, M Numan, S Zakir… - Pharmaceuticals, 2024 - mdpi.com
Single-point mutations in the Kirsten rat sarcoma (KRAS) viral proto-oncogene are the most
common cause of human cancer. In humans, oncogenic KRAS mutations are responsible for …

Integration of Multicomplex‐Based Pharmacophore Modeling and Molecular Docking in Machine Learning‐Based Virtual Screening: Toward the Discovery of Novel …

S Qiu, L Jia, S Yuan, Y Cai, Y Chen… - Advanced Theory …, 2024 - Wiley Online Library
Abstract The phosphatidylinositol‐3 kinase (PI3K) pathway is a crucial intracellular signaling
pathway within living cells. The hyperactivation of PI3K signaling cascades is a common …

Identification of novel covalent JAK3 inhibitors through consensus scoring virtual screening: integration of common feature pharmacophore and covalent docking

G Qiu, L Yu, L Jia, Y Cai, Y Chen, J Jin, L Xu, J Zhu - Molecular Diversity, 2024 - Springer
Accumulated research strongly indicates that Janus kinase 3 (JAK3) is intricately involved in
the initiation and advancement of a diverse range of human diseases, underscoring JAK3 as …

Revolution of Artificial Intelligence in Computational Chemistry Breakthroughs

B Anjaneyulu, S Goswami, P Banik, V Chauhan… - Chemistry Africa, 2024 - Springer
The field of computational chemistry is one of many sectors that artificial intelligence (AI) has
revolutionized in recent years. Chemists are now more equipped to analyze enormous …