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

Structure- and Ligand-Based Discovery of Novel 3-Chymotrypsin-Like Protease Nonpeptidomimetic Hits

基于结构和配体的新型 3-胰凝乳蛋白酶样蛋白酶非肽模拟物的发现

Silva-Mendonça, Sabrina; Seanego, Donald; Jurisch, Christopher; Mottin, Melina; Nader Motta, Flávia; S A Rodrigues, Beatriz; S M Junior, Gilberto; Dos Santos Carvalho, Alexandra Maria; Muniz de Oliveira, Fábio; Sigurdardóttir, Sunniva; Sunnerhagen, Per; Marques Dourado Bastos, Izabela; Gessner, Richard; Chibale, Kelly; Horta Andrade, Carolina

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

Optimization of 2,8-Diaryl-1,5-naphthyridines as Plasmodium falciparum Phosphatidylinositol 4-Kinase Inhibitors with Improved ADME Profiles and In Vivo Efficacy

优化 2,8-二芳基-1,5-萘啶类化合物作为恶性疟原虫磷脂酰肌醇 4-激酶抑制剂,以改善其 ADME 特性和体内疗效

Dziwornu, Godwin A; Seanego, Donald; Fienberg, Stephen; Sypu, Venkata S; Salomane, Nicolaas; Krugmann, Liezl; Taylor, Dale; Masike, Keabetswe; Njoroge, Mathew; Boonyalai, Nonlawat; Lee, Marcus C S; Godoy, Luiz C; Pasaje, Charisse Flerida; Niles, Jacquin C; Basarab, Gregory S; Coulson, Lauren B; Ghorpade, Sandeep R; Chibale, Kelly

2,8-Disubstituted-1,5-naphthyridines as Dual Inhibitors of Plasmodium falciparum Phosphatidylinositol-4-kinase and Hemozoin Formation with In Vivo Efficacy

2,8-二取代-1,5-萘啶作为恶性疟原虫磷脂酰肌醇-4-激酶和疟色素形成的双重抑制剂,具有体内功效

Godwin Akpeko Dziwornu, Donald Seanego, Stephen Fienberg, Monica Clements, Jasmin Ferreira, Venkata S Sypu, Sauvik Samanta, Ashlyn D Bhana, Constance M Korkor, Larnelle F Garnie, Nicole Teixeira, Kathryn J Wicht, Dale Taylor, Ronald Olckers, Mathew Njoroge, Liezl Gibhard, Nicolaas Salomane, Sergio W

Discovery of Non-Covalent Inhibitors for SARS-CoV-2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation

SARS-CoV-2 PLpro非共价抑制剂的发现:整合虚拟筛选、合成和实验验证

Sousa, Bruna K P; Mottin, Melina; Seanego, Donald; Jurisch, Christopher D; Rodrigues, Beatriz S A; da Silva, Verônica L S; Andrade, Milene Aparecida; Morais, Gilberto S; Boerin, Diogo F; Froes, Thamires Q; Motta, Flávia Nader; Nonato, M Cristina; Bastos, Izabela D M; Chibale, Kelly; Gessner, Richard K; Andrade, Carolina Horta

Molecular Docking Studies, Synthesis and Biological Evaluation of Substituted Pyrimidine-2,4-diamines as Inhibitors of Plasmodium falciparum Dihydrofolate Reductase

取代嘧啶-2,4-二胺作为恶性疟原虫二氢叶酸还原酶抑制剂的分子对接研究、合成及生物学评价

Khonzisizwe Somandi, Tswene D Seanego, Tebogo Dlamini Née Molatsane, Matthew Maree, Charles B de Koning, Jarunee Vanichtanankul, Roonglawan Rattanajak, Thanaya Saeyang, Yongyuth Yuthavong, Sumalee Kamchonwongpaisan, Amanda L Rousseau

7H-Pyrrolo[2,3-d]pyrimidine-4-amines as Potential Inhibitors of Plasmodium falciparum Calcium-Dependent Protein Kinases

7H-吡咯并[2,3-d]嘧啶-4-胺类化合物作为恶性疟原虫钙依赖性蛋白激酶的潜在抑制剂

Seanego, Tswene D; Chavalala, Hlamulo E; Henning, Hendrik H; de Koning, Charles B; Hoppe, Heinrich C; Ojo, Kayode K; Rousseau, Amanda L