日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Structure-Aware Compound-Protein Affinity Prediction via Graph Neural Networks with Group Lasso Regularization

基于图神经网络和组套索正则化的结构感知化合物-蛋白质亲和力预测

Shi, Zanyu; Wang, Yang; Weerawarna, Pathum M; Richardson, Timothy I; Zhang, Jie; Wang, Yijie; Huang, Kun

Kinetically Controlled aza-Michael/Epimerization Cascade Enables a Scalable Total Synthesis of Putative (+)-Fumigaclavine F

动力学控制的氮杂迈克尔加成/差向异构化级联反应实现了假定的(+)-富马克拉维F的可扩展全合成

Dukes, Adrian O; Weerawarna, Pathum M; Silverman, Richard B

A Tetrahydrobiopterin-Displacing Potent Neuronal Nitric Oxide Synthase Inhibitor with an Unprecedented Binding Mode

一种具有前所未有的结合模式的四氢生物蝶呤置换型强效神经元一氧化氮合酶抑制剂

Weerawarna, Pathum M; Li, Huiying; Rathnayake, Athri D; Hardy, Christine D; Poulos, Thomas L; Silverman, Richard B

Synthesis of (2R,4S)-4-Amino-5-hydroxybicyclo[3.1.1]heptane-2-carboxylic Acid via an Asymmetric Intramolecular Mannich Reaction

通过不对称分子内曼尼希反应合成(2R,4S)-4-氨基-5-羟基双环[3.1.1]庚烷-2-羧酸

Dukes, Adrian O; Weerawarna, Pathum M; Devitt, Allison N; Silverman, Richard B

Target Identification of a Class of Pyrazolone Protein Aggregation Inhibitor Therapeutics for Amyotrophic Lateral Sclerosis

肌萎缩侧索硬化症中一类吡唑酮蛋白聚集抑制剂疗法的靶点鉴定

Pathum M Weerawarna,Isaac T Schiefer,Pedro Soares,Susan Fox,Richard I Morimoto,Rafael D Melani,Neil L Kelleher,Chi-Hao Luan,Richard B Silverman

Remarkable and Unexpected Mechanism for (S)-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase

(S)-3-氨基-4-(二氟亚甲基基)环己-1-烯-1-羧酸作为人鸟氨酸氨基转移酶选择性灭活剂的显著且出乎意料的机制

Zhu, Wei; Doubleday, Peter F; Butrin, Arseniy; Weerawarna, Pathum M; Melani, Rafael D; Catlin, Daniel S; Dwight, Timothy A; Liu, Dali; Kelleher, Neil L; Silverman, Richard B

Theoretical and Mechanistic Validation of Global Kinetic Parameters of the Inactivation of GABA Aminotransferase by OV329 and CPP-115

OV329 和 CPP-115 对 GABA 氨基转移酶失活的全局动力学参数的理论和机制验证

Weerawarna, Pathum M; Moschitto, Matthew J; Silverman, Richard B

A Remarkable Difference That One Fluorine Atom Confers on the Mechanisms of Inactivation of Human Ornithine Aminotransferase by Two Cyclohexene Analogues of γ-Aminobutyric Acid

一个氟原子对两种γ-氨基丁酸环己烯类似物灭活人鸟氨酸氨基转移酶机制的显著影响

Zhu, Wei; Doubleday, Peter F; Catlin, Daniel S; Weerawarna, Pathum M; Butrin, Arseniy; Shen, Sida; Wawrzak, Zdzislaw; Kelleher, Neil L; Liu, Dali; Silverman, Richard B

Mechanism-Based Design of 3-Amino-4-Halocyclopentenecarboxylic Acids as Inactivators of GABA Aminotransferase

基于机理的3-氨基-4-卤代环戊烯羧酸类化合物作为GABA氨基转移酶失活剂的设计

Shen, Sida; Doubleday, Peter F; Weerawarna, Pathum M; Zhu, Wei; Kelleher, Neil L; Silverman, Richard B

Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease

大环抑制剂与诺如病毒3CL蛋白酶相互作用相关的推测结构重排

Galasiti Kankanamalage, Anushka C; Weerawarna, Pathum M; Rathnayake, Athri D; Kim, Yunjeong; Mehzabeen, Nurjahan; Battaile, Kevin P; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C