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Molecular Diversity|April 25, 2025
Network pharmacology approach to unravel the neuroprotective potential of natural products: a narrative reviewPankaj Singh, Maheshkumar Borkar, Gaurav Doshi
Molecular Diversity|April 25, 2025
Interpretable drug-target affinity prediction based on pre-trained models' output as embeddings and based on structure-aware cross-attention for feature fusionFang Zheng, Juanjuan Zhao, Zihang Yuan, et al.
Molecular Diversity|April 10, 2025
Ball-mill-assisted mechanochemical approaches for heterocyclic compound synthesis (2015-2024)Mohd Rashid, Shivani Kasana, Vaibhav Nigam, et al.
Molecular Diversity|April 2, 2025
Discovery and optimization of AAK1 inhibitors based on 1H-indazole scaffold for the potential treatment of SARS-CoV-2 infectionZi Hui, Haowen Deng, Yueying Xu, et al.
Molecular Diversity|April 14, 2025
Targeting Poly (ADP-ribose) polymerase-1 (PARP-1) for DNA repair mechanism through QSAR-based virtual screening and MD simulationKun Cao, Ruonan Wang, Siyu Wu, et al.
Molecular Diversity|March 27, 2025
Evaluating the ability of in silico identified hit compounds to bind Staphylococcus aureus LcpASA using steered molecular dynamics simulationsBoggarapu Ganesh, Adrija Banerjee, Lalitha Guruprasad
Molecular Diversity|June 16, 2023
Synthesis, antidiabetic activity and molecular docking studies of novel aryl benzylidenethiazolidine-2,4-dione based 1,2,3-triazolesNagesh Patnam, Kishan Chevula, Prasad Chennamsetti, et al.
Molecular Diversity|June 15, 2023
Chrysin based pyrimidine-piperazine hybrids: design, synthesis, in vitro antimicrobial and in silico E. coli topoisomerase II DNA gyrase efficacyKajalben B Patel, Dhanji Rajani, Iqrar Ahmad, et al.
Molecular Diversity|June 6, 2023
Targeting lipid-sensing nuclear receptors PPAR (α, γ, β/δ): HTVS and molecular docking/dynamics analysis of pharmacological ligands as potential pan-PPAR agonistsSumit Kumar Mandal, Sonakshi Puri, Banoth Karan Kumar, et al.
Molecular Diversity|June 12, 2023
Synthesis of bis-thiohydantoin derivatives as an antiproliferative agents targeting EGFR inhibitory pathwayAlaa A Hassan, Ashraf A Aly, Mohamed Ramadan, et al.
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