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Drug interactions

MoGraphDRP: Multi-omics and graph fusion with bilinear attention for predicting drug sensitivity

Zahra Ahmadi, Jamshid Pirgazi, Ali Ghanbari Sorkhi

Computational modeling for rational design of novel phenoxy tacrine derivatives targeting Alzheimer’s disease

Mohamed El Fadili, Mohammed Er-rajy, [ ... ], Menana Elhallaoui

MLGT: A multimodal graph attention network for virtual screening of anti—Uveitis drugs

Yu Sun, Yihang Qin, Wenhao Chen

Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer’s management

Iqra Ahmad, Sara Waheed, [ ... ], Mohibullah Shah

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape

Qu Wang, Yu Hao Xu, [ ... ], Zhu Liang

CMCL-DDI: Pharmacophore-aware cross-view contrastive learning for drug-drug interaction prediction

Yehong Han, Lin Du

Comprehensive in silico analysis of genetic landscape and pathways involved in Stickler syndrome

Ravinder Sharma, Kiran Yadav, [ ... ], Vikas Yadav

System biology and network-based approach to identify the therapeutic signatures and potential inhibitors against polycystic lipomembranous osteodysplasia with Sclerosing Leukoencephalopathy

Bayan T. Bokhari, Alaa M. Saleh, [ ... ], Alaa Abdulaziz Eisa

The venom gland transcriptome of Tityus paraguayensis reveals a diverse array of bioactive molecules from the Brazilian Cerrado

Henrique Ranieri Covali-Pontes, Brayhan Meneguelli, [ ... ], Malson Neilson Lucena

Unveiling the biochemical potential of Acacia jacquemontii as a therapeutic agent in parkinson’s disease: A multi-model in Vitro, In Vivo, and In Silico Study

Andleeb Asghar, Tahir Ali Chohan, [ ... ], Sirajudheen Anwar

Integrative computational, synthetic, experimental evaluation of targeted inhibitors against matrix metalloproteinase-9: Toward precision modulation of proteolytic activity

Zainab Ahmed Rashid, Dima A. Sabbah, [ ... ], Sanaa K. Bardaweel

Effects of matcha green tea on the pharmacokinetics of nadolol in rats

Eslam T. Mashaqbeh, Tamam El-Elimat, [ ... ], Feras El Hajji

Precision screening identifies mitoxantrone as a multitarget inhibitor in ageing-associated cancers with extensive computational validation and doxorubicin comparison

Mohammed H. Al-Qahtani, Mourad Assidi, [ ... ], Nofe Ateq Alganmi

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