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

Enhanced Antiviral Activity of Novel Umifenovir Derivatives against SARS-CoV-2: Insights from an International Collaborative Study

新型乌米芬韦衍生物对SARS-CoV-2的抗病毒活性增强:一项国际合作研究的启示

Mottin, Melina; Jurisch, Christopher D; Silva-Mendonça, Sabrina; Seanego, Donald; Ramos, Paulo R P da Silva; Freitas, Caroline S; Mattos, Mayara; Fintelman-Rodrigues, Natalia; Sacramento, Carolina Q; Guivel-Benhassine, Florence; Bruel, Timothée; Krugmann, Liezl; Puhl, Ana C; Urbina, Fabio; Lane, Thomas R; Merten, Eric M; Pearce, Kenneth H; Lepioshkin, Alexander; Poromov, Artem; Monakhova, Natalia; Schwartz, Olivier; Chibale, Kelly; Souza, Thiago M L; Ekins, Sean; Makarov, Vadim; Gessner, Richard K; Andrade, Carolina H

Deciphering the Anti-LUAD Mechanism of 4′-Demethyl-epipodophyllotoxin (4′-DMEP) via Machine Learning-Driven Target Identification and In Vitro Validation

利用机器学习驱动的靶点识别和体外验证,揭示4′-去甲基表鬼臼毒素(4′-DMEP)的抗肺腺癌机制

Lu, Jingwei; Aggarwal, Reeva; Pompili, Vincent J; Das, Hiranmoy; Chang, Wei; Yu, Jingjing; Di Palma, Roberto; Falco, Luigi; Coccia, Armando; Amitrano, Federica; D'Addio, Giovanni; La Rovere, Maria Teresa; Zhang, Yifang; Bao, Cuiping; Liu, Lingling; Liu, Renjiao; Wang, Xincheng; Guo, Xiaoxuan; Li, Chunjun; Wan, Qiliang; Ding, Yi; Liu, Wenduo; Yang, Kun; Zhang, Yue; Bu, Yifan; Song, Mingrong; Hao, Zhihua; Chen, Jing; Ouro, Alberto; Ben-Dor, Gabriel A; Debasa-Mouce, Manuel; Gulkarov, Shelly; De Leon, Joshua; Castro-Mosquera, Mónica; Sobrino, Tomás; Bougea, Anastasia; Reiss, Allison B; Szőke, Henrik; Vagedes, Jan; Balogh, Anikó; Li, Shengnian; Yin, Yikun; Guan, Jingjun; Yu, Liang; Jin, Shihao; Hu, Haotian; Wang, Xue; Wei, Xuan; Wang, Changjie; Ding, Peisen; Fan, Pengfei; Gao, Sinan; Dou, Xiaojing; Wang, Bing; Ma, Haoran; Yan, Mengwen; Liu, Jun; Zhu, Chen; Soria-Fregozo, Cesar; Ramos de Robles, Silvia Lizette; Flores-Soto, Mario Eduardo; Rosas-Sánchez, Gilberto Uriel; Zhao, Yannan; Deng, Bei; Li, Xiang; Zhang, Sheng; Chen, Yuhang; Peng, Dezhong; Sun, Ning; He, Yi; Liu, Yi-Wei; Chen, Gang-Lin; Chen, Lei; Yang, Hui-Lin; Lu, Jing-Kang; Xiong, Jing; Xiong, Xiao-Yi; He, Cheng-Qi; Barnett, Carlton C; Oliver, Gavin R; Schoenberg, Michael Rutenberg; Smith, Hans P; Smythe, W Roy; Zhang, Lei; Lu, Hao; Zhou, Hao; Bigjahan, Bavrina; Cavallari, Michele; Barisano, Giuseppe; Lange, Martin; Martinasek, Mary; Heckert, Nadine; Duan, Tingting; Zou, Changwei; Yang, Ming; Xu, Jiangxingzi; Wu, Zhaoping; Ullah, Sayyed Aqib; Jabeen, Hafsa; Javed, Areeba; Manan, Abdul; Irshad, Nadeem; Khan, Kashif Maqbool; Khushal, Aneela; Khan, Sara; Farooq, Umar; Bashir, Kashif; Saeed, Aamer; Cole, Paige L; Stead, Connor A; Burniston, Jatin G; Owens, Daniel J; Karnati, Bharath V; Kumar Behera, Pradip; Tripathy, Krishna P; Karanam, Rama Sowmya; Priyadarshini, Aparajita; Das, Swati; Mishra, Subhashree; Treiber, Kyle; Svensson, Robert; Cui, Zhong-lei; Zhang, Wen-hao; Wang, Wei; Han, Shan-shan; Zhu, Sai; Xu, Chuan-yi; Huang, Hua-sheng; Luo, Rong-hai; Pinky, Humayra Afroz; Nishan, MD Nahid Hassan; Alam, Gazi Md Ehsanul; Pathak, Ranjana; Goel, Anjana; Mukherjee, Archana; Patil, Deepali; Zope, Mukesh Kumar; Raj, Rishi; Devi, Seema; Bufacchi, Antonella; Pasciuti, Katia; Tesfaye, Melaku; Baheretibeb, Yonas; Dinku, Tsimona; Mihretu, Awoke; Li, Jie; Wang, Qiao-Yan; Xu, Xin; Cui, Lili; Zhang, Yong; Gu, Jingkai; Behboodi, Hamid-Reza; Asghari-Moghadam, Morteza; Mehri, Mehran; Hamza Ilyas, Muhammad; Daher, Mohammad; Deshpande, Viraj; Lindsay, Adam; Abboud, Joseph A; Kassam, Hafiz F; Yang, Runyu; Feng, Hui; Zhang, Mengyao; Liu, Yi; Luo, Minna; Liu, Ruimin; Wang, Kaiyao; Li, Qijing; Wang, Wenjuan; Chen, Jing; Du, Yue; Xiao, Jiayi; Yang, Bingyu; Niu, Fan; He, Pengcheng; Takahashi, Momo; Tamura, Yuma; Tamiya, Hajime; Terashima, Masato; Takahashi, Harunori; Banba, Nobuyuki; Nakatani, Yuki; Otani, Naoyuki; Ueno, Asuka; Yasu, Takanori; Maejima, Yasuhiro; Liu, Xin; Woo, Sukyung; Elemosho, Abdulaziz; Malekzadeh, Hamid; Kluemper, Jude C; Janis, Jeffrey E; Li, Yanxian; Sang, Jun; Li, Xuemei; Ding, Wenjing; Yang, Chunyan; Yang, Zheng; Zhao, Shiping; Liu, Yanfang; Cardoso, Barbara R; Steele, Euridice Martinez; Brayner, Barbara; Yuan, Xinyi; Bransby, Lisa; Cummins, Hannah; Lim, Yen Ying; Machado, Priscila; Liu, Qiang; Liu, Cui; Qin, Xin; Baba, Ainain; Baba, Obair Yousuf; Ahmad, Abid; Shahid, Misbah; Cho, Hyo-Moon; Le, Minh-Thi-Tuyet; Shin, Ji-Hye; Mai, Van-Hieu; Choi, Seri; An, Jin-Pyo; Lee, Yun-Sil; Oh, Won-Keun; Feng, Fang; Choi, Jihye; Ahn, Dohyun; Truong, Thi My Tien; Yim, Kyung June; Kim, Hyun-Jin; Jung, Man-Young; Lee, Hae-Won; Kim, Dong-Shin; Kang, Inhae; Zhao, Yi; Ai, Wei; Zhao, Jieyu; Yang, Xi; Liu, Wencheng; Ma, Yaru; Mou, Jianrui; Hai, Ao; Ji, Ran; Gan, Yu; Miao, Zhuang; Hu, Shilong; Huang, Zhenbo; Liu, Jin; Liu, Xianggen; Yang, Jun; Ke, Bowen; Khatib, Hasan; Ellsworth, Elijah; Badhwar, Norisha; Zuñiga-Eulogio, Miriam; Quinteros, Michael; Hernández-Moreno, Alberto; Hernández-Moreno, Tadeo; Sharma, Tapan; Olea-Flores, Monserrat; Ordóñez, Mario; Coste-Sanchez, Carla; Padilla-Benavides, Teresita; Navarro-Tito, Napoleón; Lohawittayanan, Duangporn; Khulmanee, Tachin; Thima, Kanthinich; Chabang, Napason; Yenjai, Wanchalerm; Kanjanasirirat, Phongthon; Schlaeppi, Patrick; Tantivess, Varisa; Phumisithikul, Tanadej; Ratcha-in, Detchart; Chotsriluecha, Sanisorn; Chuchaisuwannasri, Dhanita; Phanchana, Matthew; Pinthong, Nattapon; Patrapuvich, Rapatbhorn; Charoensutthivarakul, Sitthivut; Haakonde, Richard; Zyambo, Golden; Changula, Katendi; Mwenechanya, Roy; Muzandu, Kaampwe Mayovu; Mondal, Kalyan; Mandal, Abhijit; Vijay, Anuj; Patel, Ganeshkumar; Gong, Shan; Liu, Yeqian; Chen, Chunming; Feng, Min; Yang, Meiqi; Ren, Weiqiong; Wang, Min; Zhao, Shaojie; Yuan, Hua; Zhao, Min; Hang, Chen; Yuan, Rong; Canal de Velasco, Luis M; González Flores, José Emiliano; Kraus Fischer, Gabriel; Morales Arteaga, Jose Luis; Olivares Casas, María J; Alvarez Nava, Kenia N; Morales Morales, Frida M; Zhao, Tian-Pei; Chen, Jing-Yu; Li, Yue-Hua; Zhang, Chen-Xia; Ma, Yu-Xiang; Qin, Zhao; Wang, Xue-De; Liu, Hua-Min; Cui, Rui-Fu; Wang, Lei; Xu, Yong-Jun; Shi, Hai-Ming; Iizuka, Yusuke; Kosaka, Takuya; Kishi, Takahiro; Mitsuoka, Hiroshi; Yamaguchi, Yuki; Hoshino, Akihiro; Masuda, Hidemichi; Zhou, Xuchang; Wang, Dongxue; Deng, Huili; Guo, Jianmin; Chen, Xier; Lin, Zhangyu; Liu, Baolong; Zhao, Ruobing; Gao, Lu; Yin, Xuan; Zhang, Yun; Chen, Yan; Yang, Yajing; Li, Qingxian; Shen, Qu; Ji, Jianguang; Ni, Guoxin; Abikar, Apoorva; Ranganathan, Prathibha; Mottin, Melina; Jurisch, Christopher D; Silva-Mendonça, Sabrina; Seanego, Donald; Ramos, Paulo R P da Silva; Freitas, Caroline S; Mattos, Mayara; Fintelman-Rodrigues, Natalia; Sacramento, Carolina Q; Guivel-Benhassine, Florence; Bruel, Timothée; Krugmann, Liezl; Puhl, Ana C; Urbina, Fabio; Lane, Thomas R; Merten, Eric M; Pearce, Kenneth H; Lepioshkin, Alexander; Poromov, Artem; Monakhova, Natalia; Schwartz, Olivier; Chibale, Kelly; Souza, Thiago M L; Ekins, Sean; Makarov, Vadim; Gessner, Richard K; Andrade, Carolina H; Liang, Hui; Huang, Qinhong; Xian, Mingming; Chen, Taoliang; Sun, Xinlin; Binorkar, Sandeep V; Sawant, Ranjeet; Ukey, Rashtrapal N; Bhat, Ravindra; Monteblanco, Carlo D; Sy Su, Karl Matthew C; Jose, Geraldine Raphaela B; Yao, Jinghui; Wang, Chenhao; Wang, Zhichao; Xiang, Shi; Sun, Wu; Chen, Hui; Yang, Chao

Discovery of Dual Targeting GSK-3β/HIV-1 Reverse Transcriptase Inhibitors as Neuroprotective Antiviral Agents

发现双靶向GSK-3β/HIV-1逆转录酶抑制剂作为神经保护性抗病毒药物

Jones, Thane; Raman, Renuka; Puhl, Ana C; Lane, Thomas R; Riabova, Olga; Kazakova, Elena; Makarov, Vadim; Ekins, Sean

Repurposing lapatinib as a triple antagonist of chemokine receptors 3, 4, and 5

将拉帕替尼重新定位为趋化因子受体3、4和5的三重拮抗剂

Lane, Thomas R; Puhl, Ana C; Vignaux, Patricia A; Pennypacker, Keith R; Ekins, Sean

The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications

金发姑娘范式:比较经典机器学习、大型语言模型和少样本学习在药物发现应用中的性能

Snyder, Scott H; Vignaux, Patricia A; Ozalp, Mustafa Kemal; Gerlach, Jacob; Puhl, Ana C; Lane, Thomas R; Corbett, John; Urbina, Fabio; Ekins, Sean

Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase Inhibitors.

序列对比和深度学习模型用于识别选择性丁酰胆碱酯酶抑制剂

Ozalp Mustafa Kemal, Vignaux Patricia A, Puhl Ana C, Lane Thomas R, Urbina Fabio, Ekins Sean

Computational drug repositioning identifies niclosamide and tribromsalan as inhibitors of Mycobacterium tuberculosis and Mycobacterium abscessus

计算机辅助药物重定位发现氯硝柳胺和三溴沙兰是结核分枝杆菌和脓肿分枝杆菌的抑制剂。

Yang, Jeremy J; Goff, Aaron; Wild, David J; Ding, Ying; Annis, Ayano; Kerber, Randy; Foote, Brian; Passi, Anurag; Duerksen, Joel L; London, Shelley; Puhl, Ana C; Lane, Thomas R; Braunstein, Miriam; Waddell, Simon J; Ekins, Sean

Machine learning-aided search for ligands of P2Y(6) and other P2Y receptors

利用机器学习辅助搜索 P2Y(6) 和其他 P2Y 受体的配体

Puhl, Ana C; Lewicki, Sarah A; Gao, Zhan-Guo; Pramanik, Asmita; Makarov, Vadim; Ekins, Sean; Jacobson, Kenneth A

In silico ADME/tox comes of age: twenty years later

计算机辅助ADME/毒理学研究日趋成熟:二十年后

Ekins, Sean; Lane, Thomas R; Urbina, Fabio; Puhl, Ana C

Learning from COVID-19: How drug hunters can prepare for the next pandemic

从新冠疫情中吸取教训:缉毒人员如何为下一次疫情做好准备

Puhl, Ana C; Lane, Thomas R; Ekins, Sean