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In Silico Pharmacology|January 9, 2025
In-silico-based lead optimization of hit compounds targeting mitotic kinesin Eg5 for cancer managementDamilola S Bodun, Damilola A Omoboyowa, Victor F Olofinlade, et al.
In Silico Pharmacology|December 27, 2024
Exploring the efficacy of some biologically active compounds as anti-hypertensive drugs: an insightful evaluation through DFT, molecular docking and molecular dynamics simulationsSourav Majumdar, Anup Pramanik
In Silico Pharmacology|December 24, 2024
Immunoinformatics-driven design and computational analysis of a multiepitope vaccine targeting uropathogenic Escherichia coliHina Khalid, Sergey Shityakov
In Silico Pharmacology|November 5, 2024
Effects of some anti-ulcer and anti-inflammatory natural products on cyclooxygenase and lipoxygenase enzymes: insights from in silico analysisJonathan A Metuge, Jude Y Betow, Boris D Bekono, et al.
In Silico Pharmacology|October 31, 2024
Glucosinolates and Indole-3-carbinol from Brassica oleracea L. as inhibitors of E. coli CdtB: insights from molecular docking, dynamics, DFT and in vitro assayFaria Tasnim, Md Eram Hosen, Md Enamul Haque, et al.
In Silico Pharmacology|October 6, 2025
In silico design and assessment of a multiepitope and multiantigen potential vaccine candidate against Leishmania donovaniSatabdi Saha, Sahina Laskar, Seshan Gunalan, et al.
In Silico Pharmacology|October 6, 2025
Deciphering the anthelmintic mechanisms of Operculina turpethum through integrated computational and in vitro approachesNeeraj Choudhary, Ashish Suttee, Gopal L Khatik, et al.
In Silico Pharmacology|September 22, 2025
In silico ligand self-assembly drives binding recognition of natural products into Anopheles gambiae cytosolic sulfotransferases (AgSULT-001425) proteinAngelina I Makaye, Lucas Paul, Said A H Vuai, et al.
In Silico Pharmacology|September 24, 2020
Insight into glycogen synthase kinase-3β inhibitory activity of phyto-constituents from Melissa officinalis: in silico studiesOpeyemi Iwaloye, Olusola Olalekan Elekofehinti, Emmanuel Ayo Oluwarotimi, et al.
In Silico Pharmacology|July 12, 2021
Exploring the inhibitory potentials of Momordica charantia bioactive compounds against Keap1-Kelch protein using computational approachesTemitope Isaac Adelusi, Misbaudeen Abdul-Hammed, Mukhtar Oluwaseun Idris, et al.
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