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

A virtual screening and molecular dynamics approach in search of novel antibiotic chemotypes

利用虚拟筛选和分子动力学方法寻找新型抗生素化学类型

Noor, Tahira; Schultz, Daniel C; Zhai, Yuting; Snoke, Hannah E; Noh, Suyeun; Seabra, Gustavo; Lee, Richard E; Jeong, Kwangcheol Casey; Li, Chenglong; Siddiqi, Abdul Rauf

Synthesis, structural studies, and inhibitory potential of selected sulfonamide analogues: insights from in silico and in vitro analyses

磺酰胺类似物的合成、结构研究及抑制潜力:来自计算机模拟和体外分析的见解

Noor, Tahira; Schultz, Daniel C; Seabra, Gustavo; Zhai, Yuting; Jeong, Kwangcheol Casey; Bokhari, Saleem Ahmed; Qureshi, Fahim Ashraf; Siddiqi, Abdul Rauf; Li, Chenglong

Virtual High-Throughput Screening of Ligands for Disrupting PRMT5/pICLn Interaction in Prostate Cancer Cells

利用虚拟高通量筛选配体以破坏前列腺癌细胞中的PRMT5/pICLn相互作用

Shen, Zhihang; Seabra, Gustavo; Li, Chenglong

Discovery and Mechanism of 16-19F, a Novel Synthetic Lethal Inhibitor of the PRMT5•MTA Complex in MTAP-Deleted Cancer Cells.

发现并阐明了 16-19F 的作用机制,它是一种新型的 PRMT5•MTA 复合物合成致死抑制剂,作用于 MTAP 缺失的癌细胞

Shen Zhihang, Yang Xiaozhi, Seabra Gustavo, Xu Xueyong, Dong Jiawei, Brant Jason Orr, Zhou Wei, Guan Juan, Jiang Wen, Li Chenglong

Biosynthesis, Chemical Synthesis, and Pharmacological Evaluation of Lyngbyapeptin A as a GPCR Antagonist of Motilin, Cannabinoid, and Amylin Receptors

Lyngbyapeptin A 作为 GPCR 拮抗剂对胃动素、大麻素和胰淀素受体的作用的生物合成、化学合成和药理学评价

Pham, Tam H D; Chen, Manyun; Liu, Jie; Chen, Qi-Yin; Seabra, Gustavo; Paul, Valerie J; Donia, Mohamed S; Bruner, Steven D; Ding, Yousong; Luesch, Hendrik

Grassystatin G, a new cathepsin D inhibitor from marine cyanobacteria: discovery, synthesis, and biological characterization.

Grassystatin G,一种来自海洋蓝藻的新型组织蛋白酶 D 抑制剂:发现、合成和生物学特性

Elsadek Lobna A, Seabra Gustavo, Paul Valerie J, Luesch Hendrik

GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data

GatorAffinity:利用大规模合成结构数据提升蛋白质-配体结合亲和力预测

Wei, Jinhang; Zhang, Yupu; Ramdhan, Peter A; Huang, Zihang; Seabra, Gustavo; Jiang, Zhe; Li, Chenglong; Li, Yanjun

MGMG: Cell Morphology-Guided Molecule Generation for Drug Discovery

MGMG:基于细胞形态的分子生成用于药物发现

Tang, Qiaosi; Ding, Daoyun; Yuan, Xiaoyong; Seabra, Gustavo; Ramdhan, Peter A; Liu, Chi-Yuan; Thai, My T; Li, Chenglong; Luesch, Hendrik; Li, Yanjun

Morphological profiling for drug discovery in the era of deep learning

深度学习时代药物发现的形态学分析

Tang, Qiaosi; Ratnayake, Ranjala; Seabra, Gustavo; Jiang, Zhe; Fang, Ruogu; Cui, Lina; Ding, Yousong; Kahveci, Tamer; Bian, Jiang; Li, Chenglong; Luesch, Hendrik; Li, Yanjun

Carbohydrate-Binding Mechanism of the Coagulant Lectin from Moringa oleifera Seeds (cMoL) Is Related to the Dimeric Protein Structure

辣木籽凝集素(cMoL)的碳水化合物结合机制与二聚体蛋白结构相关

de Barros, Matheus Cavalcanti; de Oliveira, Ana Patrícia Silva; Dos Santos, Franciane Gonçalves; Silva, Fabiana Aparecida Cavalcante; Menezes, Thais Meira; Seabra, Gustavo de Miranda; Yoneda, Juliana Sakamoto; Coelho, Luana Cassandra Breitenbach Barroso; Macedo, Maria Lígia Rodrigues; Napoleão, Thiago Henrique; Lima, Thâmarah de Albuquerque; Neves, Jorge Luiz; Paiva, Patrícia Maria Guedes