Results 121 to 130 of about 10,523 (171)

<i>In silico</i> evaluation of soursop (<i>Annona muricata</i>) leaf compound interactions with CYP450 and their potential impact on systemic cancer therapies. [PDF]

Toxicol Rep
Ballesteros-Ramírez R, Fuenmayor D, Martínez-Ramos N, Duque-Grisales E, Murillo R.   +4 more
europepmc   +1 more source

Integrated Computational Study Prioritizes Drug-like Para-Flavonoids as Candidate SARS-CoV-2 M^pro Inhibitors. [PDF]

Curr Issues Mol Biol
Alqahtani JH, Ouachekradi M, Abdelfattah B, Elrherabi A, J Alqahtani M, Miantezila Basilua J, Khibech O, Bouhrim M.   +7 more
europepmc   +1 more source

A Cluster-Guided Screening Framework for Prioritizing Natural Product Candidates Against HIV-1 from the KNApSAcK Database. [PDF]

Pharmaceuticals (Basel)
Alqaaf M, Mamun MAA, Nasution AK, Islam ASMN, Supriyanti R, Ono N, Kanaya S, Altaf-Ul-Amin M.   +7 more
europepmc   +1 more source

Targeted LC-MS/MS Phytochemical Profiling and Synergistic Anti-Urease Activity of <i>Limoniastrum guyonianum</i> Extracts Supported by Molecular Docking and <i>In Silico</i> ADME and Drug-Likeness Assessment. [PDF]

Molecules
Bouzid M, Berkani F, Aouar L, Sanah I, D'Elia M, Boubekeur R, Khammar H, Bensouici C, Yilmaz MA, Cakir O, Tarhan A, Benbott A, Rastrelli L.   +12 more
europepmc   +1 more source

Phyto-synthesized silver-iron oxide nanoparticles from <i>Traganum nudatum</i> for antimicrobial and anticancer applications: experimental and computational insights. [PDF]

Front Chem
Aldraiwiesh HO, Elobeid MM, Mohamed ZE, Kamel BM, Aldahasi RM, Albani FG, Alharbi NK, Salem I, Henidi H, Alghamdi SS, Nour MM, Mohammed AE.   +11 more
europepmc   +1 more source

Explainable Multi-Isoform QSAR, PubChem Concordance, and Applicability-Domain-Guided Prioritization of Selective Human Carbonic Anhydrase I, II, IX, and XII Inhibitors. [PDF]

Pharmaceuticals (Basel)
Elsayad AM, Elsayad KA.
europepmc   +1 more source

Discovery of novel METTL3 inhibitors: design, synthesis, and <i>in silico</i> and <i>in vitro</i> evaluations. [PDF]

RSC Adv
Zhang Y, Chen M, He Y, Chen Q, Han H, Zhang X, Qian Y, Jiang H, Xu X, Wang Z.   +9 more
europepmc   +1 more source

LogPpred: An AI-Based Predictive Model for Accurate Estimation of Molecular LogP. [PDF]

Molecules
Piazza L, Sortino L, Costa A, Poles C, Fornaseri F, Sainas S, Giorgis M, Poli G, Macchia M, Lolli ML, Tuccinardi T, Di Stefano M.   +11 more
europepmc   +1 more source

A network toxicology and molecular docking study predicting putative molecular targets and pathways linking bisphenol a exposure to diffuse large B-cell lymphoma. [PDF]

Discov Oncol
Zhang Y, Jin L.
europepmc   +1 more source

SynCraft: an integrated web server for ADMET-aware retrosynthesis and molecular design. [PDF]

Nucleic Acids Res
Aljanabi QA, Huang Z, Song J, Deng L.
europepmc   +1 more source