Results 131 to 140 of about 10,449 (207)

First multifaceted ADME profile of ACP-105 (CAS: 1048998-11-3): a novel non-steroidal selective androgen receptor modulator used as doping in sports-integrative in silico toxicological studies for clinical and forensic toxicology purposes. [PDF]

Arch Toxicol
Fijałkowska O, Jurowski K.
europepmc   +1 more source

Machine Learning-Based Prediction of Rule Violations for Drug-Likeness Assessment in Peptide Molecules Using Random Forest Models. [PDF]

Int J Mol Sci
Lambev M, Dimitrova D, Mihaylova S.
europepmc   +1 more source

ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) - application of in Silico methods for prediction: absorption, distribution, metabolism and excretion. [PDF]

Sci Rep
Noga M, Jurowski K.
europepmc   +1 more source

Novel donor-π-acceptor benzimidazole-based chromophores: synthesis, antitumor assessment, and pharmacokinetics. [PDF]

RSC Adv
Al-Qahtani SD, Al-Senani GM, Elattar KM.
europepmc   +1 more source

Functional Annotation and Molecular Characterization of a Hypothetical Protein From <i>Mycobacterium leprae</i> Through <i>In Silico</i> Approaches: A Potential Therapeutic Target. [PDF]

Evol Bioinform Online
Tanha TH, Saikat S, Hasan R, Yeamin MMH, Parvin R, Imtiaz M, Hasib M.   +6 more
europepmc   +1 more source

Structure-Based Design and In Silico Evaluation of a Lipophilic Cyclooctanoyl- Derivative as a Renin Inhibitor: Lessons from Withdrawn Aliskiren. [PDF]

Int J Mol Sci
Pavlos D, Petsas E, Chatzipieris FP, Mavromoustakos T, Chasapis CT.   +4 more
europepmc   +1 more source

The Difluoroboranyl-Fluoroquinolone Derivative "7a" Inhibits Bacterial DNA Gyrase and Exhibits Potent Activity Against Ciprofloxacin-Resistant <i>S. aureus</i> In Vitro and In Vivo Using an Acute Pneumonia Model. [PDF]

Molecules
Veyna-Hurtado LA, Hernández-López H, de Loera D, Vargas-Morales JM, Muñoz-Ortega M, Troncoso-Vázquez L, Bocanegra-Zapata A, Cervantes-Villagrana AR.   +7 more
europepmc   +1 more source

Bioactivity of Novel Colchicine, Colchiceine, and 10-Methylthiocolchicine Complexes with Lithium, Sodium, and Potassium Chlorides: Experimental and Theoretical Studies. [PDF]

Int J Mol Sci
Kurek J, Kwaśniewska-Sip P, Jankowski W, Myszkowski K, Cofta G, Hoffmann M, Murias M, Kurczab R, Śliwa P.   +8 more
europepmc   +1 more source

Screening of potential ligands from the ZINC database with RAC1B using molecular docking and dynamics simulation analysis. [PDF]

Bioinformation
Verma K, Pillai L.
europepmc   +1 more source

Identification of Potential Candidates with Antimicrobial Activity Against Antibiotic-Resistant <i>Staphylococcus aureus</i> Strains: A Hierarchical Bioinformatics Approach. [PDF]

Int J Mol Sci
Silva AVD, Santos KLBD, Oliveira LPOBP, Lima LS, Cardoso FMN, Carvalho MCSV, Ramos RDS, Cruz JN, Kimani NM, Campos JM, Santos CBRD.   +10 more
europepmc   +1 more source