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Drug interactions

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, [ ... ], Yuzhong Peng

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

Ebrar Altınalan, Aleksandra Panina, [ ... ], Helgi B. Schiöth

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

Heptapharmacological activity of Quercetin-3-O-phosphate against lung cancer pathways

Maryam Abdulrahman Alahdal, Hadil Alahdal, [ ... ], Abeer Al Tuwaijri

Pharmaceutical Innovation and Drug Policy: The Case of the 1984 Hatch-Waxman Act

Benjamin M. Blau, Joshua Lyman, Jason M. Smith, Ryan J. Whitby

A network pharmacology-based approach and molecular docking study to explore the therapeutic potential of a nutraceutical formula (Vernolac) in the treatment of cancer

Sandani De Vass Gunawardane, Matheen Muhammadh Milhan, [ ... ], Sameera Ranganath Samarakoon

AI-driven molecular diversification and ligand-based optimization of macitentan derivatives targeting VEGFR1 and endothelin signaling pathways

Sümeyra Koç Sahin, Nouman Ali

Integrated in silico and in vivo larvicidal evaluation of compounds targeting juvenile hormone for malaria vector control

Eric Kibagendi Osoro, Adeniyi Ayinde Abdulwahab, [ ... ], Damilola Samuel Bodun

In-silico identification of bacterial key-genes directly or indirectly associated with the development and progression of colorectal cancer for exploring anti-bacterial agents

Nibas Kumar Pal, Md. Kaderi Kibria, [ ... ], Md. Nurul Haque Mollah

In silico screening and molecular analyses identify apigenin from Scutellaria barbata as a potent AKT1 inhibitor in breast cancer

Md. Maruf Khan, Md. Arju Hossain, [ ... ], M. Nazmul Hoque

A multi-modal co-attention model for accurate drug-target interaction prediction

Wanjun Ma, Wenjun Li, [ ... ], Xiwei Tang

Identifying potential inhibitors for wild-type EGFR tyrosine kinase through a cross-talk pathway strategy and an in-silico drug repurposing method

Dorra Abdelmalek, Kawther Bedchich, [ ... ], Mohamed Sami Aifa

Molecular modeling of highly selective CDK1 Inhibitors based on pyrazolo-pyrimidines using 3D-QSAR, docking, and molecular dynamics simulations

Muhammad Afaq Tahir, Tahir Ali Chohan, [ ... ], Khuram Ashfaq

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