🔗 Virtual screening

Articles (16)

• An efficient method for the synthesis of peptide aldehyde libraries employed in the discovery of reversible SARS coronavirus main protease (SARS-Cov Mpro) inhibitors

  👤 Al-Gharabli, Samer I. 👤 Ali Shah, Syed T. 👤 Weik, Steffen 👤 Schmidt, Marco F. 👤 Mesters, Jeroen R. 👤 Kuhn, Daniel 👤 Klebe, Gerhard 👤 Hilgenfeld, Rolf 👤 Rademann, Jörg ⏰ 2006 📚 ChemBioChem

• Structure-based virtual screening and experimental validation of the discovery of inhibitors targeted towards the human coronavirus nucleocapsid protein

  👤 Chang, Chung Ke 👤 Jeyachandran, Sivakamavalli 👤 Hu, Nien Jen 👤 Liu, Chia Ling 👤 Lin, Shing Yen 👤 Wang, Yong Sheng 👤 Chang, Yu Ming 👤 Hou, Ming Hon ⏰ 2016 📚 Molecular BioSystems

• Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: Virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays

  👤 Chen, Lili 👤 Chen, Shuai 👤 Gui, Chunshan 👤 Shen, Jianhua 👤 Shen, Xu 👤 Jiang, Hualiang ⏰ 2006 📚 Journal of Biomolecular Screening

• Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL (pro)) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates.

  👤 Chen, Yu Wai 👤 Yiu, Chin-Pang Bennu 👤 Wong, Kwok-Yin ⏰ 2020 📚 F1000Res

• A guideline for homology modeling of the proteins from newly discovered betacoronavirus, 2019 novel coronavirus (2019-nCoV).

  👤 Dong, Shengjie 👤 Sun, Jiachen 👤 Mao, Zhuo 👤 Wang, Lu 👤 Lu, Yi-Lin 👤 Li, Jiesen ⏰ 2020 📚 J Med Virol

• Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease.

  👤 Kandeel, Mahmoud 👤 Al-Nazawi, Mohammed ⏰ 2020 📚 Life Sci

• Targeting SARS-CoV-2: A Systematic Drug Repurposing Approach to Identify Promising Inhibitors Against 3C-like Proteinase and 2'-O-RiboseMethyltransferase.

  👤 Khan, Rameez Jabeer 👤 Jha, Rajat Kumar 👤 Amera, GizachewMuluneh 👤 Jain, Monika 👤 Singh, Ekampreet 👤 Pathak, Amita 👤 Singh, Rashmi Prabha 👤 Muthukumaran, Jayaraman 👤 Singh, Amit Kumar ⏰ 2020 📚 J Biomol Struct Dyn

• Structure-Based Stabilization of Non-native Protein-Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design.

  👤 Lin, Shan-Meng 👤 Lin, Shih-Chao 👤 Hsu, Jia-Ning 👤 Chang, Chung-Ke 👤 Chien, Ching-Ming 👤 Wang, Yong-Sheng 👤 Wu, Hung-Yi 👤 Jeng, U-Ser 👤 Kehn-Hall, Kylene 👤 Hou, Ming-Hon ⏰ 2020 📚 J Med Chem

• Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target

  👤 Lin, Shing Yen 👤 Liu, Chia Ling 👤 Chang, Yu Ming 👤 Zhao, Jincun 👤 Perlman, Stanley 👤 Hou, Ming Hon ⏰ 2014 📚 Journal of Medicinal Chemistry

• Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease

  👤 Lu, I. Lin 👤 Mahindroo, Neeraj 👤 Liang, Po Huang 👤 Peng, Yi Hui 👤 Kuo, Chih Jung 👤 Tsai, Keng Chang 👤 Hsieh, Hsing Pang 👤 Chao, Yu Sheng 👤 Wu, Su Ying ⏰ 2006 📚 Journal of Medicinal Chemistry

• Identification of rna pseudoknot-binding ligand that inhibits the - 1 ribosomal frameshifting of SARS-coronavirus by structure-based virtual screening

  👤 Park, So Jung 👤 Kim, Yang Gyun 👤 Park, Hyun Ju ⏰ 2011 📚 Journal of the American Chemical Society

• An overview of severe acute respiratory syndrome-coronavirus (SARS-CoV) 3CL protease inhibitors: Peptidomimetics and small molecule chemotherapy

  👤 Pillaiyar, Thanigaimalai 👤 Manickam, Manoj 👤 Namasivayam, Vigneshwaran 👤 Hayashi, Yoshio 👤 Jung, Sang Hun ⏰ 2016 📚 Journal of Medicinal Chemistry

• In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain).

  👤 Sarma, Phulen 👤 Sekhar, Nishant 👤 Prajapat, Manisha 👤 Avti, Pramod 👤 Kaur, Hardeep 👤 Kumar, Subodh 👤 Singh, Sanjay 👤 Kumar, Harish 👤 Prakash, Ajay 👤 Dhibar, Deba Prasad 👤 Medhi, Bikash ⏰ 2020 📚 J Biomol Struct Dyn

• Recent aspects on the pathogenesis mechanism, animal models and novel therapeutic interventions for middle east respiratory syndrome coronavirus infections

  👤 Skariyachan, Sinosh 👤 Challapilli, Sneha Basavaraj 👤 Packirisamy, Swathi 👤 Kumargowda, Supreetha Toplar 👤 Sridhar, Vaishnavi Sneha ⏰ 2019 📚 Frontiers in Microbiology

• Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.

  👤 Ton, Anh-Tien 👤 Gentile, Francesco 👤 Hsing, Michael 👤 Ban, Fuqiang 👤 Cherkasov, Artem ⏰ 2020 📚 Mol Inform

• Generation of predictive pharmacophore model for SARS-coronavirus main proteinase

  👤 Zhang, Xue Wu 👤 Yap, Yee Leng 👤 Altmeyer, Ralf M. ⏰ 2005 📚 European Journal of Medicinal Chemistry