Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Ma Y, Li P, Xie W, Liu F, Li D, Rehman AU, Wang D, Zhou JJ, Ma Y, Chen Z. The Microbial Metabolite Wuyiencin Potentially Targets Threonine Dehydratase in Didymella segeticola to Achieve Control of Tea Leaf Spot. Phytopathology. 2025 Feb; 115(2):151-161.
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Kim M, Naik SD, Jarhad DB, Aswar VR, Tripathi SK, Aslam MA, Huh JY, Jeong LS. Stereochemical influence of 4'-methyl substitutions on truncated 4'-thioadenosine derivatives: Impact on A3 adenosine receptor binding and antagonism. Bioorg Chem. 2024 12; 153:107901.
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Yang S, Zhao Y, Cao S, Liu X, Feng M, Chen Y, Ma C, Zhan T, Zhang Q, Jia H, Zhao Y, Tong M, Yu Y, Liu X, Yang B, Zhang Y. Kanglexin counters vascular smooth muscle cell dedifferentiation and associated arteriosclerosis through inhibiting PDGFR. Phytomedicine. 2024 Jul 25; 130:155704.
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Freidel MR, Vakhariya PA, Sardarni SK, Armen RS. The Dual-Targeted Fusion Inhibitor Clofazimine Binds to the S2 Segment of the SARS-CoV-2 Spike Protein. Viruses. 2024 04 20; 16(4).
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Hegazy A, Soltane R, Alasiri A, Mostafa I, Metwaly AM, Eissa IH, Mahmoud SH, Allayeh AK, Shama NMA, Khalil AA, Barre RS, El-Shazly AM, Ali MA, Martinez-Sobrido L, Mostafa A. Anti-rheumatic colchicine phytochemical exhibits potent antiviral activities against avian and seasonal Influenza A viruses (IAVs) via targeting different stages of IAV replication cycle. BMC Complement Med Ther. 2024 Jan 22; 24(1):49.
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Yang S, Li HW, Tian JY, Wang ZK, Chen Y, Zhan TT, Ma CY, Feng M, Cao SF, Zhao Y, Li X, Ren J, Liu Q, Jin LY, Wang ZQ, Jiang WY, Zhao YX, Zhang Y, Liu X. Myeloid-derived growth factor suppresses VSMC dedifferentiation and attenuates postinjury neointimal formation in rats by activating S1PR2 and its downstream signaling. Acta Pharmacol Sin. 2024 Jan; 45(1):98-111.
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Rogers DM, Agarwal R, Vermaas JV, Smith MD, Rajeshwar RT, Cooper C, Sedova A, Boehm S, Baker M, Glaser J, Smith JC. SARS-CoV2 billion-compound docking. Sci Data. 2023 03 28; 10(1):173.
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Aruchamy B, Drago C, Russo V, Pitari GM, Ramani P, Aneesh TP, Benny S, Vishnu VR. Imidazole-pyridine hybrids as potent anti-cancer agents. Eur J Pharm Sci. 2023 Jan 01; 180:106323.
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Palatnik-de-Sousa I, Wallace ZS, Cavalcante SC, Ribeiro MPF, Silva JABM, Cavalcante RC, Scheuermann RH, Palatnik-de-Sousa CB. A novel vaccine based on SARS-CoV-2 CD4+ and CD8+ T cell conserved epitopes from variants Alpha to Omicron. Sci Rep. 2022 10 06; 12(1):16731.
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Kutkat O, Moatasim Y, Al-Karmalawy AA, Abulkhair HS, Gomaa MR, El-Taweel AN, Abo Shama NM, GabAllah M, Mahmoud DB, Kayali G, Ali MA, Kandeil A, Mostafa A. Robust antiviral activity of commonly prescribed antidepressants against emerging coronaviruses: in vitro and in silico drug repurposing studies. Sci Rep. 2022 07 28; 12(1):12920.