Results 1 to 10 of about 2,196,436 (350)

3CLpro inhibitors: DEL-based molecular generation

Frontiers in Pharmacology, 2022
Molecular generation (MG) via machine learning (ML) has speeded drug structural optimization, especially for targets with a large amount of reported bioactivity data.
Feng Xiong, Honggui Xu, Mingao Yu, Xingyu Chen, Zhenmin Zhong, Yuhan Guo, Meihong Chen, Huanfang Ou, Jiaqi Wu, Anhua Xie, Jiaqi Xiong, Linlin Xu, Lanmei Zhang, Qijian Zhong, Liye Huang, Zhenwei Li, Tianyuan Zhang, Feng Jin, Xun He   +18 more
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Discovery of TIGIT inhibitors based on DEL and machine learning

Frontiers in Chemistry, 2022
Drug discovery has entered a new period of vigorous development with advanced technologies such as DNA-encoded library (DEL) and artificial intelligence (AI).
Feng Xiong, Mingao Yu, Honggui Xu, Zhenmin Zhong, Zhenwei Li, Yuhan Guo, Tianyuan Zhang, Zhixuan Zeng, Feng Jin, Xun He   +9 more
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A simple generic method for analyzing water sensitive pinacol boronate compounds by hydrophilic interaction liquid chromatography

Journal of Chromatography Open, 2022
Pinacol boronates are widely used in the pharmaceutical and biomedical industries as primary building blocks for many chemical reactions, such as Suzuki coupling.
Lulu Dai, Joseph Gonzalez, Kelly Zhang
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Utilizing Molecular Simulations to Examine Nanosuspension Stability

Pharmaceutics, 2023
Drug nanosuspensions offer a promising approach to improve bioavailability for poorly soluble drug candidates. Such formulations often necessitate the inclusion of an excipient to stabilize the drug nanoparticles. However, the rationale for the choice of
Andrew P. Latham, Elizabeth S. Levy, Benjamin D. Sellers, Dennis H. Leung   +3 more
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Natural and Man-Made Cyclic Peptide-Based Antibiotics

Antibiotics, 2022
In recent years, an increasing number of drug-resistant bacterial strains have been identified due to the abuse of antibiotics, which seriously threatens human and animal health. Antimicrobial peptides (AMPs) have become one of the most effective weapons
Shian Lai, Quan Zhang, Lin Jin
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Copper-Catalyzed Synthesis of Axially Chiral Biaryls with Diaryliodonium Salts as Arylation Reagents

Molecules, 2021
NOBIN and BINAM derivatives harboring biaryl frameworks are recognized as a class of important atropisomers with versatile applications. Here, we present an efficient synthetic route to access such compounds through copper-catalyzed domino arylation of N-
Ji-Wei Zhang, Shao-Hua Xiang, Shaoyu Li, Bin Tan   +3 more
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Chiral Tertiary Amine Catalyzed Asymmetric [4 + 2] Cyclization of 3-Aroylcoumarines with 2,3-Butadienoate

Molecules, 2021
Coumarins and 2H-pyran derivatives are among the most commonly found structural units in natural products. Therefore, the introduction of 2H-pyran moiety into the coumarin structural unit, i.e., dihydrocoumarin-fused dihydropyranones, is a potentially ...
Jun-Lin Li, Xiao-Hui Wang, Jun-Chao Sun, Yi-Yuan Peng, Cong-Bin Ji, Xing-Ping Zeng   +5 more
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Anti-inflammatory properties of uvaol on DSS-induced colitis and LPS-stimulated macrophages

Chinese Medicine, 2020
Background Apocynum venetum leaves are used as a kind of phytomedicine and the main ingredient in some traditional Chinese medicine products for the relief of colitis. To understand the bioactive constituents of A.
Shi-yun Du, Hai-feng Huang, Xian-qian Li, Li-xiang Zhai, Qin-chang Zhu, Kai Zheng, Xun Song, Chen-shu Xu, Chen-yang Li, Ying Li, Zhen-dan He, Hai-tao Xiao   +11 more
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N-linoleyltyrosine exerts neuroprotective effects in APP/PS1 transgenic mice via cannabinoid receptor-mediated autophagy

Journal of Pharmacological Sciences, 2021
Anandamide (AEA) analogs show fair effects in counteracting the deterioration of Alzheimer's disease (AD). Our previous studies demonstrated that AEA analog-N-linoleyltyrosine (NITyr) exerted significant activities.
Chun-mei Long, Qi-xue Zheng, Yi Zhou, Yuan-ting Liu, Liu-ping Gong, Ying-chun Zeng, Sha Liu   +6 more
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In Vitro Activity of Peptide Antibiotics in Combination With Other Antimicrobials on Extensively Drug-Resistant Acinetobacter baumannii in the Planktonic and Biofilm Cell

Frontiers in Pharmacology, 2022
Acinetobacter baumannii is one of the most dangerous opportunistic pathogens in the global health care setup. Its drug resistance and biofilm-forming capability are often associated with chronic infections that are difficult to treat.
Qianlin Meng, Qianlin Meng, Fei Lin, Fei Lin, Baodong Ling, Baodong Ling   +5 more
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