Results 171 to 180 of about 31,497 (236)

Computational study of ADME-Tox prediction of selected phytochemicals from Punica granatum peels

Open Chemistry
Batool Aneeqa, Parveen Shagufta, Shafiq Nusrat, Rashid Maryam, Salamatullah Ahmad Mohammad, Ibenmoussa Samir, Bourhia Mohammed   +6 more
doaj   +1 more source

A Leakage-Aware Drug Discovery Workflow for PKM2 and MAPK1 Integrating Scaffold Validation, Molecular Docking and Structural Triage. [PDF]

Int J Mol Sci
Ucar F, Kati N.
europepmc   +1 more source

(398) Admete [PDF]

, 2003
openaire   +1 more source

Identification of PI3K alpha inhibitors through large-scale virtual screening and integrated molecular modeling, biophysical characterization, and ADMET profiling. [PDF]

Sci Rep
Khan Y, Naz A, Ullah A, Mujib G, Khan L, Shoukat M, Abdelmohsen SAM, Alenzai MA, Naseem MT, Kamal A.   +9 more
europepmc   +1 more source

RingKin: portraying the vast macrocyclic chemical universe surrounding kinase drugs. [PDF]

Chem Sci
Diao Y, Hu F, Jiang W, Hu Y, Ma S, Wu D, Tong L, Xiang S, Chen C, Li Z, Shen Z, Zhao Z, Xu Y, Li J, Li H.   +14 more
europepmc   +1 more source

In Silico Identification of Natural-Product Aromatase (CYP19A1) Inhibitors via Integrated Molecular Docking and QSAR Modelling. [PDF]

Bioinform Biol Insights
Akanko EA, Kporvie SS, Hanson G, Adu-Manu KS.   +3 more
europepmc   +1 more source

Artificial intelligence-driven identification and mechanistic exploration of synergistic anti-aging compounds from Dengzhan Shengmai formulation. [PDF]

PLoS One
Hou J, Li X, Gu M, Ding K, Yang K, Xu B.
europepmc   +1 more source

Integrated experimental and computational characterization of bioactive metabolites from Streptomyces paradoxus GH53 with antimicrobial, antioxidant, and antitumor activities. [PDF]

Sci Rep
El Sayed GH, Fahim AM, Fadel M, Selim MS, Fouad R, El Awady ME.   +5 more
europepmc   +1 more source

Catechins as antibiofilm agents: molecular insights for virtual screening and in <i>vitro</i> biological evaluation. [PDF]

Front Pharmacol
Amin A, Khan A, Ali H, Zaman W, Chaman S, Zaman A, Majeed MK, Ullah N, Aziz MI.   +8 more
europepmc   +1 more source

Targeting cannabinoid receptor 1 for multiple sclerosis: molecular docking and dynamic insights of berberine and curcumin as potential therapeutic agents. [PDF]

Am J Clin Exp Immunol
Alrahimi J.
europepmc   +1 more source