Browsing bySubjectMolecular docking
Showing results 1 to 23 of 23
| Issue Date | Title | Author(s) |
|---|---|---|
| 2016-11-10 | 5-HT7 receptor modulators: Amino groups attached to biphenyl scaffold determine functional activity | Kim, Youngjae; Park, Hyeri; Lee, Jeongeun; Tae, Jinsung; Kim, Hak Joong; Min, Sun-Joon; Rhim, Hyewhon; Choo, Hyunah |
| 1996-09 | Applying virtual reality to molecular graphics system | Yoon, C.N.; Chi, M.H.; Ko, H.; Park, J. |
| 2011-06-20 | Binding Mode Prediction of 5-Hydroxytryptamine 2C Receptor Ligands by Homology Modeling and Molecular Docking Analysis | Ahmed, Asif; Nagarajan, Shanthi; Doddareddy, Munikumar Reddy; Cho, Yong Seo; Pae, Ae Nim |
| 2017-02-15 | Design and synthesis of new RAF kinase-inhibiting antiproliferative quinoline derivatives. Part 2: Diarylurea derivatives | El-Gamal, Mohammed I.; Khan, Mohammad Ashrafuddin; Tarazi, Hamadeh; Abdel-Maksoud, Mohammed S.; El-Din, Mahmoud M. Gamal; Yoo, Kyung Ho; Oh, Chang-Hyun |
| 2022-09 | Design, synthesis, and biological evaluation of pseudo-bicyclic pyrimidine-based compounds as potential EGFR inhibitors | Farag, Ahmed Karam; Ahn, Byung Sun; Yoo, Je Sik; Karam, Reham; Roh, Eun Joo |
| 2021-04-05 | Design, synthesis, biological evaluation, and docking studies of novel (imidazol-5-yl)pyrimidine-based derivatives as dual BRAF(V600E)/p38 alpha inhibitors | Ali, Eslam M. H.; El-Telbany, Rania Farag A.; Abdel-Maksoud, Mohammed S.; Ammar, Usama M.; Mersal, Karim, I; Zaraei, Seyed-Omar; El-Gamal, Mohammed, I; Choi, Se-In; Lee, Kyung-Tae; Kim, Hee-Kwon; Lee, Kwan Hyi; Oh, Chang-Hyun |
| 2017-03-10 | Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction | Elkamhawy, Ahmed; Park, Jung-Eun; Hassan, Ahmed H. E.; Ra, Hyunhwa; Pae, Ae Nim; Lee, Jiyoun; Park, Beoung-Geon; Moon, Bongjin; Park, Hyun-Mee; Roh, Eun Joo |
| 2017-10 | Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in A beta-induced mitochondrial dysfunction | Park, Insun; Londhe, Ashwini M.; Lim, Ji Woong; Park, Beoung-Geon; Jung, Seo Yun; Lee, Jae Yeol; Lim, Sang Min; No, Kyoung Tai; Lee, Jiyoun; Pae, Ae Nim |
| 2009-02 | Elucidation of binding mode and three dimensional quantitative structure-activity relationship studies of a novel series of protein kinase B/Akt inhibitors | Muddassar, M.; Pasha, F. A.; Neaz, M. M.; Saleem, Y.; Cho, S. J. |
| 2020-07-14 | Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening | Durai, Prasannavenkatesh; Ko, Young-Joon; Pan, Cheol-Ho; Park, Keunwan |
| 2017-07 | GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking | Baek, Minkyung; Shin, Woong-Hee; Chung, Hwan Won; Seok, Chaok |
| 2017-11 | Hypolaetin-7-O-β-D-xyloside from Juniperus communis Fruits Inhibits Melanogenesis on Zebrafish Pigmentation | Jeong, Eun Ju; Jegal, Jonghwan; Chung, Ki Wung; Noh, Sang Gyun; Chung, Hae Young; Nam, Youn Hee; Kang, Tong Ho; Kim, Su-Nam; Yang, Min Hye |
| 2018-11-15 | Novel 5,6-disubstituted pyrrolo[2,3-d]pyrimidine derivatives as broad spectrum antiproliferative agents: Synthesis, cell based assays, kinase profile and molecular docking study | Lee, Ju-Hyeon; El-Damasy, Ashraf K.; Seo, Seon Hee; Gadhe, Changdev G.; Pae, Ae Nim; Jeong, Nakcheol; Hong, Soon-Sun; Keum, Gyochang |
| 2014-09-12 | Novel quinazoline-urea analogues as modulators for A beta-induced mitochondrial dysfunction: Design, synthesis, and molecular docking study | Elkamhawy, Ahmed; Lee, Jiyoun; Park, Beoung-Geon; Park, Insun; Pae, Ae Nim; Roh, Eun Joo |
| 2019-11 | Optimization study towards more potent thiazolidine-2,4-dione IKK-beta modulator: Synthesis, biological evaluation and in silico docking simulation | Elkamhawy, Ahmed; Kim, Nam Youn; Hassan, Ahmed H. E.; Park, Jung-eun; Yang, Jeong-Eun; Elsherbeny, Mohamed H.; Paik, Sora; Oh, Kwang-Seok; Lee, Byung Ho; Lee, Mi Young; Shin, Kye Jung; Pae, Ae Nim; Lee, Kyung-Tae; Roh, Eun Joo |
| 2016-08 | Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist | Cho, Nam-Chul; Seo, Seoung-Hwan; Kim, Dohee; Shin, Ji-sun; Ju, Jeongmin; Seong, Jihye; Seo, Seon Hee; Lee, Iiyoun; Lee, Kyung-Tae; Kim, Yun Kyung; No, Kyoung Tai; Pae, Ae Nim |
| 2023-11 | SARS-CoV-2 main protease inhibitors from the stem barks of Discoglypremna caloneura (Pax) Prain (Euphorbiaceae) and Pterocarpus erinaceus Poir (Fabaceae) and their molecular docking investigation | Djouonzo, Paul Toukam; Mukim, Md Sofequl Islam; Kemda, Pamela Nangmo; Kowa, Theodora Kopa; Tchinda, Alembert Tiabou; Agbor Agbor, Gabriel; Pan, Cheol-Ho; Song, Dae-Geun |
| 2020-02 | Structure-activity relationships of fluorene compounds inhibiting HCV variants | Kim, Hee Sun; You, Youngsu; Mun, Jaegon; Gadhe, Changdev G.; Moon, Heejo; Lee, Jae Seung; Pae, Ae Nim; Kohara, Michinori; Keum, Gyochang; Kim, Byeong Moon; Jang, Sung Key |
| 2020-07 | Sulfonamide-based 4-anilinoquinoline derivatives as novel dual Aurora kinase (AURKA/B) inhibitors: Synthesis, biological evaluation and in silico insights | Al-Sanea, Mohammad M.; Elkamhawy, Ahmed; Paik, Sora; Lee, Kyeong; El Kerdawy, Ahmed M.; Abbas, Bukhari Syed Nasir; Roh, Eun Joo; Eldehna, Wagdy M.; Elshemy, Heba A. H.; Bakr, Rania B.; Farahat, Ibrahim Ali; Alzarea, Abdulaziz, I; Alzarea, Sami, I; Alharbi, Khalid S.; Abdelgawad, Mohamed A. |
| 2016-01-01 | Synthesis and biological evaluation of picolinamides and thiazole-2-carboxamides as mGluR5 (metabotropic glutamate receptor 5) antagonists | Hoang Nam Vu; Kim, Ji Young; Hassan, Ahmed H. E.; Choi, Kihang; Park, Jong-Hyun; Park, Ki Duk; Lee, Jae Kyun; Pae, Ae Nim; Choo, Hyunah; Min, Sun-Joon; Cho, Yong Seo |
| 2018-01-20 | Synthesis and evaluation of 2-(3-arylureido)pyridines and 2-(3-arylureido)pyrazines as potential modulators of A beta-induced mitochondrial dysfunction in Alzheimer's disease | Elkamhawy, Ahmed; Park, Jung-eun; Hassan, Ahmed H. E.; Pae, Ae Nim; Lee, Jiyoun; Park, Beoung-Geon; Roh, Eun Joo |
| 2017-12-01 | Synthesis and evaluation of new pyridyl/pyrazinyl thiourea derivatives: Neuroprotection against amyloid-beta-induced toxicity | Park, Jung-eun; Elkamhawy, Ahmed; Hassan, Ahmed H. E.; Pae, Ae Nim; Lee, Jiyoun; Paik, Sora; Park, Beoung-Geon; Roh, Eun Joo |
| 2015-11-15 | Targeting EGFR/HER2 tyrosine kinases with a new potent series of 6-substituted 4-anilinoquinazoline hybrids: Design, synthesis, kinase assay, cell-based assay, and molecular docking | Elkamhawy, Ahmed; Farag, Ahmed Karam; Viswanath, Ambily Nath Indu; Bedair, Tarek M.; Leem, Dong Gyu; Lee, Kyung-Tae; Pae, Ae Nim; Roh, Eun Joo |
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