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Journal of Biomolecular Structure & Dynamics|February 9, 2023
Synthesis, in silico, in vitro and in vivo studies of novel natural-based arylidenes curcumin as potential glycohydrolase digestive enzymes inhibitorsMohammad Ezati, Fahimeh Ghavamipour, Mohammad Mahdi Hassan Yazdi, et al.Journal of Biomolecular Structure & Dynamics|February 9, 2023
New molecular insights for 4H-1,2,4-triazole derivatives as inhibitors of tankyrase and Wnt-signaling antagonist: a molecular dynamics simulation studyChirag C Mehta, Shishir Rohit, Saumya Patel, et al.Journal of Biomolecular Structure & Dynamics|February 10, 2023
Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselenAreej Abuhammad, Nicola Laurieri, Alistair Rice, et al.Journal of Biomolecular Structure & Dynamics|January 29, 2023
Highlights in TMPRSS2 inhibition mechanism with guanidine derivatives approved drugs for COVID-19 treatmentWafa Tachoua, Mohamed Kabrine, Mamona Mushtaq, et al.Journal of Biomolecular Structure & Dynamics|January 31, 2023
Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an in silico studyOsmair Vital de Oliveira, Maria Cristina Andreazza Costa, Ricardo Marques da Costa, et al.Journal of Biomolecular Structure & Dynamics|March 1, 2023
The biguanide-sulfonamide derivatives: synthesis, characterization and investigation of anticholinesterase inhibitory, antioxidant and DNA/BSA binding propertiesOzge Gungor, Muhammet KoseJournal of Biomolecular Structure & Dynamics|March 1, 2023
In silico investigation of binding propensity of hematoxylin derivative and damnacanthal for their potential inhibitory effect on HIV-1 Vpr from different subtypesJoyeeta Datta, Satyabrata Majumder, Dwaipayan Chaudhuri, et al.Journal of Biomolecular Structure & Dynamics|March 15, 2023
Study of complexation of single-stranded poly(rA) and poly(rU) with methylene bluePoghos O Vardevanyan, Ara P Antonyan, Zvart H Movsisyan, et al.Journal of Biomolecular Structure & Dynamics|March 8, 2023
Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery studyMahmoud A A Ibrahim, Khlood A A Abdeljawaad, Laila A Jaragh-Alhadad, et al.Journal of Biomolecular Structure & Dynamics|March 8, 2023
In silico screening of inhibitors against human dihydrofolate reductase to identify potential anticancer compoundsAsma Soofi, Mostafa Rezaei-Tavirani, Nahid Safari-AlighiarlooPageof 935