Results 121 to 130 of about 28,587,314 (277)

In Vivo CRISPR Screen Identifies RPS19 as an Immunotherapy Target in Hepatocellular Carcinoma

Advanced Science, EarlyView.
By employing in vivo CRISPR functional screening, we identify ribosomal protein RPS19 as a pivotal mediator driving immune evasion in hepatocellular carcinoma, wherein tumor‑released RPS19 binds C5aR1 on tumor‑associated macrophages to initiate downstream immunosuppressive signaling; SP94‑peptide‑modified SNPSS nanoparticles deliver Cas9/sgRPS19 ...
Lei He, Duo Yu, Fei Xie, Kaisheng Hou, Zhaozhao Li, Meifang Dai, Jingyi Yun, Haiyan Cao, Yang Xiao, Yueyuan Qiu, Gege Shi, Wangqian Zhang, Shuning Wang, Qiang Hao, Jieyu Zhang, Zhaowei Wang, Yingqi Zhang, Kuo Zhang, Jintao Gu, Haichen Du, Meng Li   +20 more
wiley   +1 more source

SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style

Journal of Cheminformatics
While virtual libraries of synthetically accessible compounds have exploded in size to many billions, our capacity to extract valuable drug leads from these vast databases remains limited by computational resources.
Stefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, Philip Judson, Hitesh Patel, Marc C. Nicklaus, Nadya I. Tarasova   +6 more
doaj   +1 more source

Ligand-Based Virtual Screening and Molecular Docking of Benzimidazoles as Potential Inhibitors of Triosephosphate Isomerase Identified New Trypanocidal Agents. [PDF]

Int J Mol Sci, 2022
Vázquez-Jiménez LK, Juárez-Saldivar A, Gómez-Escobedo R, Delgado-Maldonado T, Méndez-Álvarez D, Palos I, Bandyopadhyay D, Gaona-Lopez C, Ortiz-Pérez E, Nogueda-Torres B, Ramírez-Moreno E, Rivera G.   +11 more
europepmc   +1 more source

Virtual Screening: A Fast Tool for Drug Design

, 2008
Computational screening of databases has become increasingly popular in the pharmaceutical research. Virtual screening uses computer based methods to discover new ligands on the basis of biological structures. Virtual screening is divided into structural
Avijeet JAIN, Vivek VYAS, Anurekha JAIN, Arun GUPTA   +3 more
core   +1 more source

A Novel Bioactive Component, Efoba, From Aged Garlic Targets CTSC to Suppress NET‐Driven Neuroinflammation and Ameliorate Secondary Brain Injury After Intracerebral Hemorrhage

Advanced Science, EarlyView.
Efoba, a novel bioactive component derived from aged garlic, confers neuroprotection against intracerebral hemorrhage. It acts on microglia to suppress CTSC release, inhibits NET‐mediated neural injury, and blocks pathological microglia‐neutrophil crosstalk. This study provides a highly promising lead compound for hemorrhagic‐stroke therapy.
Junjun Meng, Jianhua Wang, Tao Zhang, Xiaofan Fan, Jinxiu Guo, Shiyuan Zhao, Wenxue Sun, Pei Jiang   +7 more
wiley   +1 more source

The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience. [PDF]

Int J Mol Sci, 2022
Bragina ME, Daina A, Perez MAS, Michielin O, Zoete V.   +4 more
europepmc   +1 more source

HPPD: Ligand- and Target-Based Virtual Screening on a Herbicide Target

, 2016
Hydroxyphenylpyruvate dioxygenase (HPPD) has proven to be a very successful target for the development of herbicides with bleaching properties, and today HPPD inhibitors are well established in the agrochemical market. Syngenta has a long history of HPPD-
Miriam López-Ramos (2297167), Francesca Perruccio (2238070)   +1 more
core   +1 more source

Accelerating Biosensor Discovery: A Computationally‐Driven Pipeline for Microplastics Monitoring

Advanced Intelligent Discovery, EarlyView.
A computationally guided pipeline unites molecular simulation, synthetic biology, electrochemical engineering, and machine learning to accelerate biosensor discovery. A Bacillus anthracis carbohydrate‐binding module is used to develop a high‐performance micro‐ and nanoplastics sensor with greatly reduced error and variability.
Gabriel X. Pereira, Marcos de C. Leite, Pedro H. M. Zanineli, Juliana N. Y. Costa, Débora M. Cunha, Sophia P. Serra, Pedro H. Sophia, Flávio M. Shimizu, Yasmin W. Moura, Célio C. Oliveira, Gabriel R. Schleder, Gabriela F. Persinoti, Leandro Merces, Renato S. Lima   +13 more
wiley   +1 more source

A Multistrategy AI‐Assisted Consensus Screening Pipeline for Discovery of Candidate p53 Monomer Binders

Advanced Intelligent Discovery, EarlyView.
An ultra‐fast small‐sample AI consensus pipeline combines co‐folding and docking to target structure‐lacking p53 monomers. Its optimal mini‐protein binder shows robust interfacial affinity and promising druggability, supplying unprecedented antitumor p53 templates.
Ningyao Li, Xueyi Liu, Qiuyue Li, Chengfeng Yue, Xin Li, Yugang Huang, Xin Deng, Junfei Zhang, Xue Liang, Guodong Ye   +9 more
wiley   +1 more source

Study of ligand-based virtual screening tools in computer-aided drug design [PDF]

, 2010
Virtual screening is a central technique in drug discovery today. Millions of molecules can be tested in silico with the aim to only select the most promising and test them experimentally.
Tiikkainen, Pekka
core