Artificial Intelligence-Based Application to Explore Inhibitors of Neurodegenerative Diseases
Leping Deng, Weihe Zhong, Lu Zhao et al. · Frontiers in Neurorobotics · 2020
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Rational Design of Hit Compounds Targeting Staphylococcus aureus Threonyl-tRNA Synthetase
Mariia Yu. Rybak, Olga I. Gudzera, Oksana B. Gorbatiuk et al. · ACS Omega · 2021
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Exploring the inhibitory mechanism of resorcinylic isoxazole amine NVP-AUY922 towards the discovery of potential heat shock protein 90 (Hsp90) inhibitors
Ayanda M. Magwenyane, Monsurat M. Lawal, Daniel G. Amoako et al. · Scientific African · 2022
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The effect of protein mutations on drug binding suggests ensuing personalised drug selection
Shunzhou Wan, Deepak Kumar, Valentin Ilyin et al. · Scientific Reports · 2021
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Exploring the Critical Components and Therapeutic Mechanisms of Perilla frutescens L. in the Treatment of Chronic Kidney Disease via Network Pharmacology
Chen Yong, Zhengchun Zhang, Guoshun Huang et al. · Frontiers in Pharmacology · 2021
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Bioinformatics Approaches to Natural Product Discovery
Ananta Kusuma Wisnu · BIO Web of Conferences · 2021
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Network pharmacology reveals the multiple mechanisms of Xiaochaihu decoction in the treatment of non-alcoholic fatty liver disease
Qichao Hu, Shizhang Wei, Jianxia Wen et al. · BioData Mining · 2020
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Interpreting the Pharmacological Mechanisms of Huachansu Capsules on Hepatocellular Carcinoma Through Combining Network Pharmacology and Experimental Evaluation
Jihan Huang, Jihan Huang, Jihan Huang et al. · Frontiers in Pharmacology · 2020
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2D-QSAR and 3D-QSAR/CoMSIA Studies on a Series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-Phenylethan-1-ol with Human β3-Adrenergic Activity
Gastón Apablaza, Luisa Montoya, Cesar Morales-Verdejo et al. · Molecules · 2017
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Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
Mohamed Hagar, Hoda A. Ahmed, Ghadah Aljohani et al. · International Journal of Molecular Sciences · 2020
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Molecular mechanism of Si-Miao-Yong-An decoction in the treatment of diabetic foot microcirculation and network pharmacology information analysis results
Zhao Wei, Dong Mingyang, Pan Dikang et al. · Vascular Investigation and Therapy · 2022
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QSAR, molecular docking studies, ligand-based design and pharmacokinetic analysis on Maternal Embryonic Leucine Zipper Kinase (MELK) inhibitors as potential anti-triple-negative breast cancer (MDA-MB-231 cell line) drug compounds
Hadiza Abdulrahman Lawal, Adamu Uzairu, Sani Uba · Bulletin of the National Research Centre · 2021
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Antitussive and Anti-inflammatory Dual-active Agents Developed from Natural Product Lead Compound 1-Methylhydantoin
Yang Xu, Fang Wang, Hongye Guo et al. · Molecules · 2019
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Structure-based design of some quinazoline derivatives as epidermal growth factor receptor inhibitors
Muhammad Tukur Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa et al. · Egyptian Journal of Medical Human Genetics · 2020
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Some Topological Approaches of Rough Sets through Minimal Neighborhoods and Decision Making
Ismail T. Shbair, Amgad S. Salama, Osama A. Embaby et al. · Journal of Mathematics · 2024
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A Survey of Topological Machine Learning Methods
Felix Hensel, Felix Hensel, Michael Moor et al. · Frontiers in Artificial Intelligence · 2021
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Improving the binding affinity and interaction of 5-Pentyl-2-Phenoxyphenol against Mycobacterium Enoyl ACP reductase by computational approach
Jakaria Shawon, Akib Mahmud Khan, Imrul Shahriar et al. · Informatics in Medicine Unlocked · 2021
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Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions
Sezen Vatansever, Avner Schlessinger, Daniel Wacker et al. · Medicinal Research Reviews · 2020 · Review
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Computer-aided drug design of some KRAS G12C inhibitors: Targeting the covalent and allosteric binding site for cancer therapy
Abdeen Tunde Ogunlana, Abdul-Quddus Kehinde Oyedele, Ibrahim Damilare Boyenle et al. · Informatics in Medicine Unlocked · 2022
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Selectivity analyses of γ-benzylidene digoxin derivatives to different Na,K-ATPase α isoforms: a molecular docking approach
Marco T. C. Pessôa, Silmara L. G. Alves, Alex G. Taranto et al. · Journal of Enzyme Inhibition and Medicinal Chemistry · 2018
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