Results 1 to 10 of about 13,089,035 (315)

Sequence-based drug design as a concept in computational drug design

Nature Communications, 2023
Drug development based on target proteins has been a successful approach in recent decades. However, the conventional structure-based drug design (SBDD) pipeline is a complex, human-engineered process with multiple independently optimized steps. Here, we
Lifan Chen, Zisheng Fan, Jie Chang, Ruirui Yang, Hui Hou, Hao Guo, Yinghui Zhang, Tianbiao Yang, Chenmao Zhou, Qibang Sui, Zhengyang Chen, Chen Zheng, Xinyue Hao, Keke Zhang, Rongrong Cui, Zehong Zhang, Hudson Ma, Yiluan Ding, Naixia Zhang, Xiaojie Lu, Xiaomin Luo, Hualiang Jiang, Sulin Zhang, Mingyue Zheng   +23 more
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Quality Evaluation of Pulsatilla chinensis Total Saponin Extracts via Quantitative Analysis of Multicomponents by Single Marker Method Combined with Systematic Quantified Fingerprint Method

Journal of Analytical Methods in Chemistry, 2022
Chinese medicine extracts are complex in composition. The combination of the quantitative analysis of multicomponents by single marker (QAMS) and the systematic quantified fingerprint method (SQFM) can be used for better quantitative analysis.
Long Chen, Suzhen Liu, Shuhan Feng, Liangliang Zhou, Zhenhua Chen   +4 more
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Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach

Journal of Cheminformatics, 2022
Motivation Application of chemical named entity recognition (CNER) algorithms allows retrieval of information from texts about chemical compound identifiers and creates associations with physical–chemical properties and biological activities.
O. A. Tarasova, A. V. Rudik, N. Yu. Biziukova, D. A. Filimonov, V. V. Poroikov   +4 more
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An Orally Bioavailable (Mice) Prodrug of Glutathione

Antioxidants, 2021
L-Cysteine-glutathione mixed disulfide (CySSG), a prodrug of glutathione (GSH), was found to be orally bioavailable in mice, and protected mice against a toxic dose of acetaminophen.
Daune L. Crankshaw, Jacquie E. Briggs, Robert Vince, Herbert T. Nagasawa   +3 more
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Chemical modification of proteins by insertion of synthetic peptides using tandem protein trans-splicing

Nature Communications, 2020
Chemical modification of proteins can be used to decipher function or use that function for therapeutic purposes. Here, the authors insert synthetic peptides via tandem protein trans-splicing to add post-translational modifications or non-canonical amino
K. K. Khoo, I. Galleano, F. Gasparri, R. Wieneke, H. Harms, M. H. Poulsen, H. C. Chua, M. Wulf, R. Tampé, S. A. Pless   +9 more
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Protein-Ligand Interactions and Drug Design

, 2021
This detailed book collects modern and established computer-based methods aimed at addressing the drug discovery challenge from disparate perspectives by exploiting information on ligand-protein recognition.
Ballante, Flavio,
core   +1 more source

Characterization of Formononetin Sulfonation in SULT1A3 Overexpressing HKE293 Cells: Involvement of Multidrug Resistance-Associated Protein 4 in Excretion of Sulfate

Frontiers in Pharmacology, 2021
Formononetin is one of the main active compounds of traditional Chinese herbal medicine Astragalus membranaceus. However, disposition of formononetin via sulfonation pathway remains undefined.
Fanye Liu, Shuhua Pei, Wenqi Li, Xiao Wang, Chao Liang, Ruohan Yang, Zhansheng Zhang, Xin Yao, Dong Fang, Songqiang Xie, Hua Sun   +10 more
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PKM2-Induced the Phosphorylation of Histone H3 Contributes to EGF-Mediated PD-L1 Transcription in HCC

Frontiers in Pharmacology, 2020
High expression of programmed death-ligand-1 (PD-L1) in hepatocellular carcinoma (HCC) cells usually inhibits the proliferation and functions of T cells, leading to immune suppression in tumor microenvironment.
Xiao Wang, Chao Liang, Xin Yao, Ruo-Han Yang, Zhan-Sheng Zhang, Fan-Ye Liu, Wen-Qi Li, Shu-Hua Pei, Jing Ma, Song-Qiang Xie, Song-Qiang Xie, Dong Fang   +11 more
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Revolutionizing Drug Design with Artificial Intelligence: A Comprehensive Review of Techniques, Applications, and Case Studies [PDF]

, 2023
Introduction: Artificial intelligence (AI) has the potential to revolutionize drug design and discovery by significantly reducing the time and costs involved in developing new drugs.
Noopur Verma, Varun Pareek, Lokendra Sharma, Lakshya Tuteja, Susheel Kumar   +4 more
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Introducing or removing heparan sulfate binding sites does not alter brain uptake of the blood–brain barrier shuttle scFv8D3

Scientific Reports, 2022
The blood–brain barrier (BBB) greatly limits the delivery of protein-based drugs into the brain and is a major obstacle for the treatment of brain disorders. Targeting the transferrin receptor (TfR) is a strategy for transporting protein-based drugs into
Andrés de la Rosa, Nicole G. Metzendorf, Jamie I. Morrison, Rebecca Faresjö, Fadi Rofo, Alex Petrovic, Paul O’Callaghan, Stina Syvänen, Greta Hultqvist   +8 more
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