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- [21] In silico Identification of Novel Potential BACE-1 Inhibitors for Alzheimer's Disease Treatment: Molecular Docking, Pharmacophore Modeling and Activity and Synthetic Accessibility PredictionsBRITISH JOURNAL OF PHARMACEUTICAL RESEARCH, 2015, 7 (03): : 217 - 229Pinhiero, Abraao A.da Silva, Karina R.Silva, Anna E. S.Braga, Francinaldo S.da Silva, Carlos H. T. P.Santos, Cleydson B. R.Hage-Melim, Lorane I. S.
- [22] In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulationsJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (21): : 10665 - 10676Rezvani, SabaEbadi, AhmadRazzaghi-Asl, Nima
- [23] SYNTHESIS, IN VITRO BIOLOGICAL EVALUATION AND IN SILICO MOLECULAR DOCKING STUDIES OF SOME NOVEL DIHYDROPYRIMIDONES AS POTENTIAL CYTOTOXIC AGENTSINDO AMERICAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2016, 3 (10): : 1251 - 1263Thong, Chia TeckAvupati, VasudevaRao
- [24] In silico pharmacokinetics, molecular docking and dynamic simulation studies of endolichenic fungi secondary metabolites: An implication in identifying novel kinase inhibitors as potential anticancer agentsJOURNAL OF MOLECULAR STRUCTURE, 2023, 1273Padhi, SrichandanMasi, MarcoMohanta, Yugal KishoreSaravanan, MuthupandianSharma, SwatiCimmino, AlessioShanmugarajan, DhivyaEvidente, AntonioTayung, KumanandaRai, Amit Kumar
- [25] Salicylic acid derivatives as potential α-glucosidase inhibitors: drug design, molecular docking and pharmacokinetic studiesBulletin of the National Research Centre, 46 (1)Khalifa Sunusi AminuAdamu UzairuAbdullahi Bello UmarMuhammad Tukur Ibrahim
- [26] Design of Vonoprazan Pyrazole Derivatives as Potential Reversible Inhibitors of Gastric Proton Pump: An In Silico Molecular Docking StudyACTA FACULTATIS MEDICAE NAISSENSIS, 2024, 41 (01) : 53 - 79Karovic, MarkoNikolic, BoskoNedeljkovic, NikolaVesovic, MarinaNikolic, Milos
- [27] Natural product inhibitors as potential drug candidates against Alzheimer?s disease: Structural-based drug design, molecular docking, molecular dynamic simulation experiments, and ADMET predictionsJOURNAL OF THE INDIAN CHEMICAL SOCIETY, 2023, 100 (05)Ajala, AbduljelilUzairu, AdamuShallangwa, Gideon A.Abechi, Stephen E.Ramu, RamithAl-Ghorbani, Mohammed
- [28] In Silico Screening for Novel Tyrosine Kinase Inhibitors with Oxindole Scaffold as Anti-Cancer Agents: Design, QSAR Analysis, Molecular Docking and ADMET StudiesJOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, 2022, 21 (05): : 583 - 598Zangeneh, JalalaldinShirvani, PouriaEtebari, MahmoudSaghaie, Lotfollah
- [29] Novel tryptanthrin hybrids bearing aminothiazoles as potential EGFR inhibitors: Design, synthesis, biological screening, molecular docking studies, and ADME/T predictionsJOURNAL OF HETEROCYCLIC CHEMISTRY, 2022, 59 (09) : 1533 - 1550Palabindela, RambabuGuda, RamuRamesh, GondruMyadaraveni, PrabhakarBanothu, DevendarRavi, GangallaKorra, RajashekarMekala, HimabinduKasula, Mamatha
- [30] Discovery of novel fatty acid amide hydrolase (FAAH) inhibitors as anti-alzheimer agents via in-silico-based drug design, virtual screening, molecular docking, molecular dynamics simulation, DFT, and non-clinical studiesPHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR, 2025, 247Jain, SmitaSingh, RituPaliwal, TriptiVerma, KanikaDwivedi, JayaPaliwal, SarveshSharma, Swapnil