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In Silico Pharmacology|September 26, 2026
Integrated network pharmacology, molecular docking, ADMET profiling and In vitro α-amylase inhibitory evaluation of Cardiospermum halicacabum Linn. Against diabetes mellitusManu B Math, Prakash Dabadi, A M Krupanidhi
In Silico Pharmacology|September 26, 2026
In silico evaluation of physicochemical properties, drug-likeness, molecular docking, MD simulations and MM-PBSA energy calculations of bioactive compounds from antarctic sponge Suberites sp. against SARS-CoV-2 main proteasesAmit Ranjan Pandey, Amit Anand Panday, Alok Dwivedi, et al.
In Silico Pharmacology|September 29, 2026
Antimicrobial and immunomodulatory activities of a peptide-rich preparation from Adenanthera pavonina seeds against multidrug-resistant β-haemolytic Staphylococcus aureusOlumide Oluyele, Temitayo Benedict Ibitoye
In Silico Pharmacology|October 3, 2026
Benzylidene Oxazolo[3,2-a]pyrimidine derivatives as promising anti-inflammatory agents: synthesis, quantum simulations, and molecular DockingAbdalla Ali Amin, Ali Rasw Hamad, Yousif Hussein Azeez, et al.
In Silico Pharmacology|October 19, 2026
In silico insights into shared molecular mechanisms and drug repurposing for non‑small cell lung cancer and tuberculosisNazia Zarin, Nafis Fuad Shahir, Tasnim Hosen Tanha, et al.
In Silico Pharmacology|October 19, 2026
Computational identification of phytochemical NMDAR pore-targeting candidates for radiation-induced cognitive declineJemema Agnes Tripena Raj, Abhishek Chatterjee, Nikhil Gadewal, et al.
In Silico Pharmacology|October 25, 2026
Artificial intelligence in rational drug discovery: optimization of lead compounds and in-silico prediction of molecular interactions for faster pharmaceutical developmentPrachi Bhayani, Dhruvi Vaghasiya, Hardik Rana, et al.
In Silico Pharmacology|October 27, 2026
Computational characterization of Paraphamide B as a potential EGFR-preferential dual EGFR/ALK-binding candidate for non-small cell lung cancerAmirtesh Raghuram
In Silico Pharmacology|October 17, 2022
Angiotensin converting enzyme inhibitors from medicinal plants: a molecular docking and dynamic simulation approachOlumide Samuel Fadahunsi, Olubukola Sinbad Olorunnisola, Peter Ifeoluwa Adegbola, et al.
In Silico Pharmacology|February 20, 2016
Functioning of drug-metabolizing microsomal cytochrome P450s: In silico probing of proteins suggests that the distal heme 'active site' pocket plays a relatively 'passive role' in some enzyme-substrate interactionsAvanthika Venkatachalam, Abhinav Parashar, Kelath Murali Manoj
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