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Drug interactions

From structural insight to molecule: Integrative molecular simulations identify candidate pyruvate kinase activators

Doni Dermawan, Nasser Alotaiq

published 12 Aug 2026

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Bis-hydrophobic 5-(1,2-dithiolan-3-yl)pentanamide budding leads targeting brain sigma-1 receptors

Rafael Flores, Kapembwa Musenda, Deyse Brito Barbosa, Kwan H. Cheng, Donald Sikazwe

published 10 Aug 2026

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Identification of senescence-related genes in diagnosing idiopathic pulmonary fibrosis via integrating bioinformatics analysis and machine learning

Chenchun Ding, Ziwei Ye, Pu Zeng, Weibin Chen

published 07 Aug 2026

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Herbal medicine use disclosure, database-flagged potential herb-drug interactions, and inter – interaction database concordance among patients with non-communicable diseases in Vietnam: A multicenter cross-sectional study

Anh Dang Thuc Phan, Thi Ha Vo, Tram Nguyen Nguyet Luu, Hang Thu Thi Ngo, Michael Heinrich, Chuenjid Kongkaew

published 31 Jul 2026

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Integrative network pharmacology, transcriptomics, and molecular docking identify candidate Centella asiatica constituents and targets in neurodegenerative diseases

Yuxi Xie, Chong-Teik Lim, Xin-Jieh Lam, Pike-See Cheah, King-Hwa Ling, Tan Huang

published 31 Jul 2026

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Bioassay-guided isolation of antioxidant, antibacterial, and antidiabetic compounds from Aleuritopteris bicolor of Nepal: In vitro/in silico study

Rekha Bhandari, Sadikshya Sapkota, Peru Kumari Bishwakarma, Shailendra Kumar Sharma, Ram Kishor Yadav, Sandesh Poudel, Siddha Raj Upadhyaya, Ganga Ram Upadhayay, Sajan L. Shyaula, Khem Raj Joshi

published 30 Jul 2026

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Formulation development of a biphasic release tablet-in-tablet system containing ketorolac tromethamine

Ping Zou, Yuan Zeng, Xiang-ru Liao, Xiang-yang Xie, Yin-ke Li, Yi-hui Ma, Hui Liu

published 29 Jul 2026

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Cyclodextrin inclusion complexes enhance the solubility and anti-virulence activity of metronidazole against uropathogenic Proteus mirabilis

Rehab Mahmoud Abd El-Baky, Zeinab Fathalla, Hala Rady Ahmed, Ramadan Yahia, Mohamed A. Mawhoup, Ghada M. Sadiq, Hebatallah S. Barakat, Adel Al Fatease, Ali H. Alamri, Hamdy Abdelkader

published 27 Jul 2026

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Structure-guided identification of a potential inhibitor targeting the VacA toxin of Helicobacter pylori

Farzana Akter, Md. Nur Islam, Md. Easin Mia, Md. Adnan Munim, Md. Murad Hossain

published 22 Jul 2026

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Computational and experimental evaluation of Pisolithus arhizus metabolites targeting major efflux pumps of mastitis-associated Staphylococcus aureus

Hansa Gul, Iram Zahra, Zahida Nasreen, Haris Ahmed Khan, Muhammad Naeem-ul-Hassan, Nouman Ahmad, Nasir Assad, Dawit Kifle, Lennin Garrido-Palazuelos

published 16 Jul 2026

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T-pGNN4DTI: Towards better drug-target interactions prediction using Global Self-attentive Pooled Graph Convolutional Networks and protein pre-training Models

Yanmei Lin, Boqi Yang, Jianping Liao, Chenjie Du, Hongguo Cai, Yijia Wu, Yuzhong Peng

published 13 Jul 2026

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Transcriptomic meta-analysis identifies dysregulated pathways and potential therapeutic targets in Vestibular Schwannoma

Ebrar Altınalan, Aleksandra Panina, Robert Fredriksson, Ayse Arzu Şakul, Helgi B. Schiöth

published 10 Jul 2026

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GraphTransDTI: A novel hybrid framework combining graph transformer and CNN-BiLSTM for enhanced Drug-Protein Interaction prediction

Van-Vang Le, Mai Thi Anh Nhu, Pham Truong Viet Thong

published 10 Jul 2026

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