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In Silico Pharmacology|November 17, 2025
Studies on the role of Terpinolene a monoterpene on neuropathic pain: an in Silico and molecular dynamic approachSarumathi Ravishankar, Sankaranarayanan Chandrasekaran, Mohammed Jalaludeen Abdulkadhar
In Silico Pharmacology|November 24, 2025
Targeting thymidylate kinase of Mycoplasma genitalium with phytochemicals: insights from molecular docking and dynamics studiesKrishnendu Barik, Mayank Kumar, Praffulla Kumar Arya, et al.
In Silico Pharmacology|November 24, 2025
Evaluation of antileukemic potentials of maslinic acid through targeting responsive proteins of human leukemia: a mechanistic perception on molecular modelling and dynamic stimulationsJhimli Banerjee, Sovan Samanta, Michael Afiadenyo, et al.
In Silico Pharmacology|November 24, 2025
In-silico identification of antimalarial compounds targeting PfMDR1 of Plasmodium falciparumT Lakshmi Preetha, Vikas Yadav, Naidu Subbarao
In Silico Pharmacology|November 24, 2025
Decoding gout pathogenesis: target discovery and drug design through computational modelsHemantha Mani Kumar Chakravarthi Chanda, Sudheer Kumar Katari, Tejaswini Tiyyagura, et al.
In Silico Pharmacology|November 10, 2025
Computational discovery of Ethyl gallate as a novel toll-interacting-protein (TOLLIP) interactor: a therapeutic strategy against paraquat-induced toxicityNikrita, Gajendra Choudhary, Harminder Kaur, et al.
In Silico Pharmacology|January 12, 2026
Design and optimization of peptidomimetics as PD-1/PD-L1 modulators for the management of triple-negative breast cancerHemaNandini Rajendran Krishnamoorthy, Ramanathan Karuppasamy
In Silico Pharmacology|January 12, 2026
Targeting RelB cancer associated protein by using bioactive compounds from naturally growing Chamaedorea seifrizii: in silico and in vitro validationArun Dev Sharma, Inderjeet Kaur, Ravindresh Chhabra, et al.
In Silico Pharmacology|January 12, 2026
In-vitro and in-silico evaluations of bioactive compounds, radical scavenging properties, antidiabetic and antiinflammatory properties of extract and fractions of Combretum racemosum leafEmmanuel Sina Akintimehin, Kayode Olayele Karigidi, Tosin Felicia Fajembola, et al.
In Silico Pharmacology|December 29, 2025
Targeting spermidine synthase in Leishmania donovani: molecular docking and molecular dynamics simulation-based evaluation of Indian medicinal plant phytochemicalsPraffulla Kumar Arya, Krishnendu Barik, Anil Kumar
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