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Journal of Biomolecular Structure & Dynamics|December 28, 2023
Design and construction of novel pyridine-pyrimidine hybrids as selective COX-2 suppressors: anti-inflammatory potential, ulcerogenic profile, molecular modeling and ADME/Tox studiesMohamed E Shaker, Hesham A M Goma, Izzeddin Alsalahat, et al.Journal of Biomolecular Structure & Dynamics|December 26, 2023
In silico and in vitro evaluation of newly synthesized pyrazolo-pyridine fused tetrazolo-pyrimidines derivatives as potential anticancer and antimicrobial agentsHarsh C Patel, Manan S Patel, Jaydeepkumar N Parekh, et al.Journal of Biomolecular Structure & Dynamics|December 26, 2023
Biochemical and molecular docking-based strategies of Acalypha indica and Boerhavia diffusa extract by targeting bacterial strains and cancer proteinsMst Sharmin Sultana Shimu, Gobindo Kumar Paul, Amit Kumar Dutta, et al.Journal of Biomolecular Structure & Dynamics|December 26, 2023
Biological evaluations and computational studies of newly synthesized thymol-based Schiff bases as anticancer, antimicrobial and antioxidant agentsDicle Sahin, Remziye Aysun Kepekci, Burçin Türkmenoğlu, et al.Journal of Biomolecular Structure & Dynamics|December 27, 2023
Identification of potential inhibitors against Escherichia coli Mur D enzyme to combat rising drug resistance: an in-silico approachVinita Gaur, Neeraj Kumar, Ashish Vyas, et al.Journal of Biomolecular Structure & Dynamics|December 12, 2023
CircRNA-miRNA-mRNA interactome analysis in endometrial cancerTikam Chand Dakal, Abhishek Kumar, Pawan Kumar MauryaJournal of Biomolecular Structure & Dynamics|December 13, 2023
Molecular dynamics simulations and MM-GBSA reveal a novel small molecule against Flu A RNA-dependent RNA polymeraseAhmed Samir, Wael M Elshemey, Abdo A ElfikyJournal of Biomolecular Structure & Dynamics|December 22, 2023
Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A2B receptor antagonistsRui Qin, Hao Zhang, Weifeng Huang, et al.Journal of Biomolecular Structure & Dynamics|December 23, 2023
Whole proteome analysis of MDR Klebsiella pneumoniae to identify mRNA and multiple epitope based vaccine targets against emerging nosocomial and lungs associated infectionsMuhammad Naveed, Khizra Jabeen, Tariq Aziz, et al.Journal of Biomolecular Structure & Dynamics|December 22, 2023
A computational investigation of potential plant-based bioactive compounds against drug-resistant Staphylococcus aureus of multiple target proteinsSarit Prabha, Pallavi Chauhan, Sudeesh Warkare, et al.Pageof 931