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Binding analysis

Unveiling of phosphodiesterase-5 hot residues binding to xanthine derivatives for erectile dysfunction therapy: A computational drug repurposing approach

Amin O. Elzupir, Sondos A. J. Almahmoud

published 13 Nov 2025

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Targeting MERTK tyrosine kinase: Virtual screening and molecular dynamics insights for anti-cancer drug development

Kashif Kifayat, Kamaljot Singh, Mahmood Khan, Dur E. Maknoon Razia, Sara Khan, Chengyong Dong, Liming Wang

published 30 Oct 2025

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Prediction of immunogenicity of Rh antigens using in silico analysis of binding to human leukocyte antigen peptide, Basic/Translational Research

Hee-Jeong Youk, Yong-Joon Cho, Yong-Hyun Han, Seong Who Kim, Dae-Hyun Ko

published 27 Oct 2025

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Exploration of African natural products as VP35 inhibitors to combat Marburg virus infection: Molecular docking, molecular dynamics, and quantum mechanical computations

Alaa H. M. Abdelrahman, Gamal A. H. Mekhemer, Peter A. Sidhom, Mohamed A. El-Tayeb, Shahzeb Khan, Mahmoud A. A. Ibrahim

published 24 Oct 2025

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Exploring β-catenin and TCF4 interaction in complex environments by means of novel biosensing platform focal molography

Philipp Cedro, Roman Popov, Maxime Karrer, Jean-Christophe Hau, Eric-André Kusznir, Ralf Thoma, Andreas Frutiger, Matthias Lauer, Sylwia Huber

published 30 Sep 2025

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New chalcone compound exhibits microrna-mediated anticancer properties in glioblastoma

Denis Mustafov, Shoib S. Siddiqui, Shagufta , Irshad Ahmad, Joanne Charlton, Jim Gkantalis, Patricia Rodriguez, Maria Braoudaki

published 26 Sep 2025

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Production of recombinant human G protein-coupled estrogen receptor (GPER) and establishment of a ligand binding assay using graphene quantum dots (GQDs)

Shakhawat Hossain, Md. Forhad Hossain, Md. Sohanur Rahman Sohan, Yuki Omori, Mohammad Tohidul Amin, Toshinobu Tokumoto

published 19 Sep 2025

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Inhibition of LncRNA Kcnq1ot1 suppresses hypoxia-induced pyroptosis of H9C2 cells by regulating miR-27b-3p

Yingjie Yang, Yanchun Ou, Guanlian Mo, Jing Wen, Limin Liang, Shirong Wang, Jinyi Li

published 18 Sep 2025

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Using systems biology and drug repositioning approaches to discover FDA-approved drugs candidates for endometriosis treatment

Samira Sanami, Shahrzad Aghaamoo, Sajjad Ahmad, Ali Fazli, Bahareh Mansouri, Jonas Ivan Nobre Oliveira, Mojgan Rahmanian

published 12 Sep 2025

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Phytochemical and pharmacoinformatics analysis of a traditional antipsoriatic oil formulation for its potential against proinflammatory cytokines TNF-α and IL-17A

Nayak Deeksha Dayanand, Vasudha Devi, Shama Prasada Kabbekodu, Arul Amuthan, Sathish Pai B, Rajasekhar Chinta

published 02 Sep 2025

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Phosphoproteomic profiling of feline mammary carcinoma: Insights into tumor grading and potential therapeutic targets

Pruettha Aruvornlop, Sekkarin Ploypetch, Walasinee Sakcamduang, Sirintra Sirivisoot, Tanit Kasantikul, Sittiruk Roytrakul, Narumon Phaonakrop, Nlin Arya

published 21 Aug 2025

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In vitro detection of canine anti-human antibodies following intratumoral injection of the hu14.18-IL2 immunocytokine in spontaneous canine melanoma

Andrew T. Kosharek, Cindy L. Zuleger, William S. Glass, Jens Eickhoff, Paul M. Sondel, David M. Vail, Mark R. Albertini

published 19 Aug 2025

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Bioorthogonal Non-Canonical Amino Acid Tagging (BONCAT) to detect newly synthesized proteins in cells and their secretome

Elizabeth P. Anim, Justin Mezzanotte, Siwei Chu, Ursula Stochaj

published 14 Aug 2025

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