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Original Artikel |
Datum |
Titel |
Autoren Alle Autoren |
| 1 |
[GO] |
2025―Mrz―14 |
Selective Targeting of SARS-CoV-2 Mpro with Novel Ebsulfur-Based Compounds: A Computational Drug Discovery Approach Combining Molecular Dynamics and DFT Simulations |
Seifollah Jalili, S.M. Hossein Rahmati, Atena Pakzadiyan |
| 2 |
[GO] |
2025―Mrz―07 |
Extensive In-silico Target - Ligand Conformational Space Sampling of Garlic-Derived Sulfur Compounds targeting COVID-19 infection |
Aldo Herrera-Rodulfo, Mariana Andrade-Medina, Martha S. Garcia-Delgado, Mauricio Carrillo-Tripp |
| 3 |
[GO] |
2025―Jan―18 |
GC-MS Analysis, Molecular Docking, Dynamics, and ADMET Profiling of Algerian Origanum vulgare Essential Oil Compounds as Potential COVID-19 Inhibitors |
Hanane Mouada, Mohamed Zakaria Stiti, Imran Zafar, Amira Boutarfaia, Lamia Djellaili, Fatma Lylia Berregouba, Sana Aissani |
| 4 |
[GO] |
2024―Sep―25 |
Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro) |
Alaa M. Elgohary, Abdo A. Elfiky, Florbela Pereira, Mariam I. Gamal El-Din, Mohamed A. Tammam, Adnane Aouidate, Amr El-Demerdash |
| 5 |
[GO] |
2024―Aug―16 |
Variability in SARS-CoV-2 Spike Protein Sequences: Impact on Receptor Binding and Immunotherapeutic Strategies |
Aqsa Riaz, Irshad Ur Rehman, Jamshaid Ahmad, Amin Ullah, Saeed Ullah Khattak, Dalal Sulaiman Alshaya, et al. (+3) Eman Fayad, Refaat A. Eid, Muhammad Alaa Eldeen |
| 6 |
[GO] |
2024―Aug―01 |
Repurposing FDA-Approved Drugs as Potential Inhibitors of SARS-CoV-2 PLpro: A Comprehensive Computational Study |
Ahmed M. Metwaly, Eslam B. Elkaeed, Aisha A. Alsfouk, Ibrahim M. Ibrahim, Omar A. Soliman, Hazem Elkady, Ibrahim H. Eissa |
| 7 |
[GO] |
2024―Jun―17 |
Computational Exploration of Atriplex halimus Phytocompounds: A Targeted Approach Towards Inhibiting SARS-CoV-2 |
Mohammed Roubi, Mohammed Dalli, Salah-eddine Azizi, Youness Mahdi, Ramzi A. Mothana, Abdullah R. Alanzi, et al. (+2) Raffaele Conte, Nadia Gseyra |
| 8 |
[GO] |
2023―Okt―29 |
Novel specific SARS-CoV-2 miRNAs Targeting Human Genes involved in COVID-19 Infection and their Regulation by Bemcentinib and Zavegepant: A Promising Evidence for RNA-Based Repurposing Therapeutic Strategy |
Jitender Singh, Pramod K Avti, Krishan L Khanduja, Radhika Dhawan, Namrata Sangwan, Arushi Chauhan |
| 9 |
[GO] |
2023―Sep―16 |
An ensemble approach for prioritizing antivirals against COVID-19 via heterogeneous network inference-based inductive matrix completion |
A S Aruna, K R Remesh Babu, K Deepthi |
| 10 |
[GO] |
2023―Sep―04 |
Molecular docking and dynamics identify potential drugs to be repurposed as SARS-CoV-2 inhibitors |
Mohammed Muzaffar-Ur-Rehman, Chougule Kishore Suryakant, Ala Chandu, Banoth Karan Kumar, Renuka Parshuram Joshi, Snehal Rajkumar Jadav, et al. (+2) Sankaranarayanan Murugesan, Seshadri S. Vasan |
| 11 |
[GO] |
2023―Jul―26 |
Erratum: Designing Potential Inhibitors of SARS-CoV-2 Mpro Using Deep Learning and Steered Molecular Dynamic Simulations |
Nguyen Minh Tam, Linh Hoang Tran, Quan V. Vo, Minh Quan Pham, Huong Thi Thu Phung |
| 12 |
[GO] |
2023―Apr―10 |
Persistent topological Laplacian analysis of SARS-CoV-2 variants |
Xiaoqi Wei, Jiahui Chen, Guo-Wei Wei |
| 13 |
[GO] |
2023―Mrz―30 |
Erratum - SARS-CoV-2 Main Protease Inhibitors: Structure-Based Enhancement to Anti-Viral Pre-Clinical GC376 Encourages Further Development |
Elliot D Perry, Simon Chapman, Yao-Zhong Xu |
| 14 |
[GO] |
2023―Mrz―10 |
Designing Potential Inhibitors of SARS-CoV-2 Mpro Using Deep-Learning and Steered-Molecular Dynamic Simulations |
Nguyen Minh Tam, Linh Hoang Tran, Quan V. Vo, Minh Quan Pham, Huong Thi Thu Phung |
| 15 |
[GO] |
2022―Dez―07 |
SARS-CoV-2 main protease inhibitors: Structure-based enhancement to anti-viral pre-clinical GC376 encourages further development |
Elliot D Perry, Simon Chapman, Yao-Zhong Xu |
| 16 |
[GO] |
2022―Jun―17 |
The Candidate Molecules, RBD-ACE2 Binding Inhibitors to Prevent SARS-CoV-2 Infection |
M. Haluk Guven, Ali Kemal Garip |
| 17 |
[GO] |
2022―Mai―11 |
Targeting the SARS-CoV-2 Main protease: in silico study contributed to exploring potential natural compounds as candidate inhibitors |
Mourad Ounissi, Fatma Zohra Rachedi |
| 18 |
[GO] |
2022―Apr―29 |
Molecular Dynamics Simulation of Privileged Biflavonoids as SARS-CoV2 3CLpro Targeting Agents |
Taha Vahabzadeh, Mansour Miran, Nima Razzaghi-Asl |
| 19 |
[GO] |
2022―Apr―21 |
Insighting the Therapeutic Potential of Fifty (50) Shogaol Derivatives Against Mpro of SARS-CoV-2 |
Shabbir Muhammad, Saniyah Amin, Javed Iqbal, Abdullah G. Al-Sehemi, Saleh S. Alarfaji, Mubashar Ilyas, et al. (+2) Muhammad Atif, Sami Ullah |
| 20 |
[GO] |
2021―Nov―23 |
Newly identified COVID-19 drug candidates based on computational strategies |
Parisa Azerang, Mohsen Yazdani, Kimia RayatSanati, Azar Tahghighi |
| 21 |
[GO] |
2021―Nov―23 |
Identification of marine fungi-based antiviral agents as potential inhibitors of SARS-CoV-2 by molecular docking, ADMET and molecular dynamic study |
Mahnoor Qaisar, Shabbir Muhammad, Javed Iqbal, Rasheed Ahmad Khera, Abdullah G. Al-Sehemi, Saleh S. Alarfaji, et al. (+2) Muhammad Khalid, Fatima Hussain |
| 22 |
[GO] |
2021―Okt―24 |
Identification of Hotspot Residues in Binding of SARS-CoV-2 Spike and Human ACE2 Proteins |
Jenny Mendis, Ekrem Kaya, Tugba G. Kucukkal |
| 23 |
[GO] |
2021―Okt―12 |
Seven compounds from tumeric essential oil inhibits three key proteins involved in SARS-CoV-2 cell entry and replication in silico |
Mohamad Fawzi Mahomoodally, Sharmeen Jugreet, Gokhan Zengin, Legoabe J. Lesetja, Hassan H. Abdallah, Mohammed Oday Ezzat, et al. (+2) Monica Gallo, Domenico Montesano |
| 24 |
[GO] |
2021―Sep―27 |
Adenine Quadruplexes Show Surprising Stability: Potential Implications for SARS-CoV-2 |
Simon Chapman, Pierre Ghesquière, Elliot Perry, Peter Geoffrey Taylor, Nicholas P. Power, Clare E. Sansom, Yao-Zhong Xu |
| 25 |
[GO] |
2021―Sep―06 |
Usnic Acid as a Potential Free Radical Scavenger and its Inhibitory Activity Toward SARS-CoV-2 Proteins |
Jelena Đorović Jovanović, Nedeljko Manojlović, Zoran Marković |
| 26 |
[GO] |
2021―Aug―30 |
In Silico approaches for novel drug discovery against coronavirus by employing the hybrid molecular technique: A Review |
Noor ul Amin Mohsin, Muhammad Irfan, Muhammad Naeem Aamir |
| 27 |
[GO] |
2021―Jun―22 |
Molecular Docking Study of Antibiotics, Anti-Inflammatory Drugs and [Eu(TTA)3⋅AMX] Complex as COVID-19 Biomarker through Interaction of Its Main Protease (Mpro) |
Aluísio Marques da Fonseca, Francisco Aurecio Morais de Araújo, Rubson Mateus Matos Carvalho, Jorge Fernando Silva de Menezes, Andrei Marcelino Sá Pires Silva |
| 28 |
[GO] |
2021―Jun―22 |
Computational Discovery of SARS-CoV-2 NSP 16 Drug Candidates Based on Pharmacophore Modeling and Molecular Dynamics Simulation |
Zahra Hesari, Samaneh Zolghadri, Sajad Moradi, Mohsen Shahlaei, Elham Tazikeh-Lemeski |
| 29 |
[GO] |
2021―Jun―22 |
A Computational and Literature-Based Evaluation for a Combination of Chiral Anti-CoV Drugs to Block and Eliminate SARS-CoV-2 Safely |
Mohd. Suhail |
| 30 |
[GO] |
2021―Jun―11 |
Molecular Docking analysis of the phytochemicals from Tinospora cordifolia as potential inhibitor against multi targeted SARS-CoV-2 & Cytokine storm |
Debadash Panigrahi |
| 31 |
[GO] |
2021―Apr―28 |
Computational design of a potential therapeutic peptide against spike protein of SARS-CoV-2 |
Abbas Alibakhshi, Shahrzad Ahangarzadeh, Leila Beikmohammadi, Behnoush Soltanmohammadi, Armina Alagheband Bahrami, Mohammad mehdi Ranjbar, Elmira Mohammadi |
| 32 |
[GO] |
2021―Apr―15 |
Prevention of SARS-CoV-2 Proliferation with a Novel and Potent Main Protease Inhibitor by Docking, ADMET, MM-PBSA, and Molecular Dynamics Simulation |
Akbar Noorbakhsh, Rafee Habib Askandar, Mohammad Shakib Alhagh, Chiako Farshadfar, Seyed Hamid Seyedi, Mehran Ahmadizad, et al. (+3) Arian Rahimi, Noeman Ardalan, Elnaz Hosseininezhadian Koushki |
| 33 |
[GO] |
2021―Mrz―02 |
Virtual screening of citrus flavonoid tangeretin: a promising pharmacological tool for the treatment and prevention of Zika fever and COVID-19 |
Matheus Nunes da Rocha, Daniela Ribeiro Alves, Marcia Machado Marinho, Selene Maia de Morais, Emmanuel Silva Marinho |
| 34 |
[GO] |
2021―Feb―18 |
Exploration of Some Naturally Occurring Fungal-derived Bioactive Molecules as Potential SARS-CoV-2 Main Protease (MPro) Inhibitors through In-silico Approach |
Pradip Jana, Bhagwati Bhardwaj |
| 35 |
[GO] |
2020―Nov―21 |
Virtual screening for the identification of potential candidate molecules against envelope (E) and membrane (M) proteins of SARS-CoV-2 |
Abbas Alibakhshi, Mohammad Mehdi Ranjbar, Shaghayegh Haghjooy Javanmard, Fatemeh Yarian, Shahrzad Ahangarzadeh |
| 36 |
[GO] |
2020―Nov―17 |
Virtual Screening of Natural Curcumins and Related Compounds Against SARS-CoV-2 |
Daniela Ribeiro Alves, Matheus Nunes da Rocha, Damião Sampaio de Sousa, Iris Cristina Maia Oliveira, Marcia Machado Marinho, Selene Maia de Morais, Emmanuel Silva Marinho |
