Computational Approaches and Drug Discovery: Where Are We Going?
Conflicts of Interest
List of Contributions
- Jokinen, E.M.; Niemeläinen, M.; Kurkinen, S.T.; Lehtonen, J.V.; Lätti, S.; Postila, P.A.; Pentikäinen, O.T.; Niinivehmas, S.P. Virtual Screening Strategy to Identify Retinoic Acid-Related Orphan Receptor γt Modulators. Molecules 2023, 28, 3420. https://doi.org/10.3390/molecules28083420.
- Haque, M.A.; Marathakam, A.; Rana, R.; Almehmadi, S.J.; Tambe, V.B.; Charde, M.S.; Islam, F.; Siddiqui, F.A.; Culletta, G.; Almerico, A.M.; et al. Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors. Molecules 2023, 28, 501.
- Detroja, T.S.; Samson, A.O. Virtual Screening for FDA-Approved Drugs That Se-lectively Inhibit Arginase Type 1 and 2. Molecules 2022, 27, 5134.
- Ebenezer, O.; Damoyi, N.; Jordaan, M.A.; Shapi, M. Unveiling of Pyrimidindinones as Potential Anti-Norovirus Agents—A Pharmacoinformatic-Based Approach. Molecules 2022, 27, 380.
- Conrad, M.; Horn, A.H.C.; Sticht, H. Computational Analysis of Histamine Proto-nation Effects on H1R Binding. Molecules 2023, 28, 3774.
- Altharawi, A. Targeting Toxoplasma gondii ME49 TgAPN2: A Bioinformatics Ap-proach for Antiparasitic Drug Discovery. Molecules 2023, 28, 3186.
- Tiwari, A.; Singh, G.; Choudhir, G.; Motiwale, M.; Joshi, N.; Sharma, V.; Srivastava, R.K.; Sharma, S.; Tutone, M.; Singour, P.K. Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An in-Silico Approach. Molecules 2022, 27, 5620.
- Ali, S.; Ahmad, K.; Shaikh, S.; Lim, J.H.; Chun, H.J.; Ahmad, S.S.; Lee, E.J.; Choi, I. Identification and Evaluation of Traditional Chinese Medicine Natural Compounds as Potential Myostatin Inhibitors: An in Silico Approach. Molecules 2022, 27, 4303.
- Bernal, F.A.; Schmidt, T.J. A QSAR Study for Antileishmanial 2-Phenyl-2,3-dihydrobenzofurans. Molecules 2023, 28, 3399.
- Bassani, D.; Moro, S. Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. Molecules 2023, 28, 3906.
- Dulsat, J.; López-Nieto, B.; Estrada-Tejedor, R.; Borrell, J.I. Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments. Molecules 2023, 28, 776.
- Klupt, K.A.; Jia, Z. eEF2K Inhibitor Design: The Progression of Exemplary Struc-ture-Based Drug Design. Molecules 2023, 28, 1095.
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Tutone, M.; Almerico, A.M. Computational Approaches and Drug Discovery: Where Are We Going? Molecules 2024, 29, 969. https://doi.org/10.3390/molecules29050969
Tutone M, Almerico AM. Computational Approaches and Drug Discovery: Where Are We Going? Molecules. 2024; 29(5):969. https://doi.org/10.3390/molecules29050969
Chicago/Turabian StyleTutone, Marco, and Anna Maria Almerico. 2024. "Computational Approaches and Drug Discovery: Where Are We Going?" Molecules 29, no. 5: 969. https://doi.org/10.3390/molecules29050969