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Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson's disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches.
Irfan A, Zahoor AF, Boulaamane Y, Javed S, Hameed H, Maurady A, Muhammed MT, Ahmad S, Al-Mutairi AA, Shahzadi I, Al-Hussain SA, Zaki MEA. Irfan A, et al. Front Chem. 2024 Oct 8;12:1449165. doi: 10.3389/fchem.2024.1449165. eCollection 2024. Front Chem. 2024. PMID: 39439933 Free PMC article.
Quantum chemical treatment, electronic energy in various solvents, spectroscopic, molecular docking and dynamic simulation studies of 2-amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide: A core of anticancer drug.
Verma NL, Kumar S, Kumar M, Pal J, Sharma D, Lalji RSK, Chahal M, Kant H, Rathor N, Javed S, Jaiswar G. Verma NL, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2024 Oct 9;326:125263. doi: 10.1016/j.saa.2024.125263. Online ahead of print. Spectrochim Acta A Mol Biomol Spectrosc. 2024. PMID: 39413608
Robotics in revolutionizing neurosurgery.
Janjua MI, Fatima L, Sahitia N, Yaqoob E, Javed S. Janjua MI, et al. Neurosurg Rev. 2024 Oct 15;47(1):797. doi: 10.1007/s10143-024-03013-8. Neurosurg Rev. 2024. PMID: 39404846 Review.
711 results