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In Silico Pharmacology|October 2, 2024
Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studiesManjima Sen, B M Priyanka, D Anusha, et al.
In Silico Pharmacology|September 23, 2024
Marine natural compounds as potential CBP bromodomain inhibitors for treating cancer: an in-silico approach using molecular docking, ADMET, molecular dynamics simulations and MM-PBSA binding free energy calculationsMd Liakot Ali, Fabiha Noushin, Eva Azme, et al.
In Silico Pharmacology|November 5, 2024
Molecular docking and network pharmacology study on active compounds of Cyprus rotundus for the treatment of diabetes mellitusVishakha Desai, Mohammad Ziyad Shaikhsurab, Nimmy Varghese, et al.
In Silico Pharmacology|October 31, 2024
Protein-protein interaction network study of metallo-beta-lactamase-L1 present in Stenotrophomonas maltophilia and identification of potential drug targetsK H Sreenithya, Shobana Sugumar
In Silico Pharmacology|September 12, 2024
In silico analysis reveals α-amylase inhibitory potential of Taraxerol (Coccinia indica) and Epoxywithanolide-1 (Withania coagulans): a possible way to control postprandial hyperglycemia-induced endothelial dysfunction and cardiovascular eventsLokesh Ravi, Venkatesh Sadhana, Pratishtha Jain, et al.
In Silico Pharmacology|February 13, 2025
In-silico evaluation of diffractaic acid as novel anti-diabetic inhibitor against dipeptidyl peptidase IV enzymeMiah Roney, Abdul Rashid Issahaku, Amit Dubey, et al.
In Silico Pharmacology|February 20, 2025
De novo in silico screening of natural products for antidiabetic drug discovery: ADMET profiling, molecular docking, and molecular dynamics simulationsSulyman Olalekan Ibrahim, Yusuf Oloruntoyin Ayipo, Halimat Yusuf Lukman, et al.
In Silico Pharmacology|July 29, 2024
mRNA vaccine design for Epstein-Barr virus: an immunoinformatic approachElijah Kolawole Oladipo, Temitope Michael Akinleye, Stephen Feranmi Adeyemo, et al.
In Silico Pharmacology|August 19, 2024
In silico analysis of balsaminol as anti-viral agents targeting SARS-CoV-2 main protease, spike receptor binding domain and papain-like protease receptorsDaniel Danladi Gaiya, Aliyu Muhammad, Joy Sim Musa, et al.
In Silico Pharmacology|August 19, 2024
Reporting the anti-neuroinflammatory potential of selected spondias mombin flavonoids through network pharmacology and molecular dynamics simulationsJohn A Olanrewaju, Leviticus O Arietarhire, Oladimeji E Soremekun, et al.
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