Results 131 to 140 of about 1,944,029 (193)

Therapeutic Potentials of Phytochemicals in Pancreatitis: Targeting Calcium Signaling, Ferroptosis, microRNAs, and Inflammation with Drug-Likeness Evaluation. [PDF]

Nutrients
Farhat F, Venkataraman B, Bhongade BA, Pessia M, Ojha S, Subramanya SB.   +5 more
europepmc   +1 more source

druglikeFilter 1.0: An AI powered filter for collectively measuring the drug-likeness of compounds. [PDF]

J Pharm Anal
Mou M, Zhang Y, Qian Y, Zhou Z, Liao Y, Niu T, Hu W, Chen Y, Jiang R, Zhao H, Dai H, Zhang Y, Fu T.   +12 more
europepmc   +1 more source

A review and in silico screening of plant-derived snake venom/toxin inhibitors: ADMET, drug-likeness, and medicinal chemistry profiling. [PDF]

PLoS Negl Trop Dis
Ojuka P, Nyamato GS, Santos CBR, Kimani NM.   +3 more
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

Exploring the pharmacokinetics, drug-likeness, and toxicological features of anticancer flavonoids: a Boulevard to explore their clinical translational potential. [PDF]

Front Pharmacol
Dubey AK, Chandragiri SS, Geevarghese AV, Kapoor B, Gulati M, Rani P, Singh G, Chavda VP, Gundamaraju R, Bansal H, Gautam RK, Goyal R, Okoh MP, Shen B, Singla RK.   +14 more
europepmc   +1 more source

Antagonistic Trends Between Binding Affinity and Drug-Likeness in SARS-CoV-2 Mpro Inhibitors Revealed by Machine Learning. [PDF]

Viruses
Souza AS, Amorim VMF, Soares EP, de Souza RF, Guzzo CR.   +4 more
europepmc   +1 more source

Evaluation of Chalcone (<i>E</i>)‑3-(4-Fluorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-prop-2-en-1-one against <i>Trypanosoma cruzi</i> (Y Strain): In Vitro Assay, In Silico Drug-Target Analysis, and MPO-Based Drug Likeness. [PDF]

ACS Omega
Pinto Filho JIL, Melo Lucio FN, Ribeiro LR, da Rocha MN, Dos Santos HS, Almeida-Neto FWQ, Magalhaes EP, Martins AMC, de Menezes RRPPB, Marinho MM, De Lima-Neto P, Silva Marinho E.   +11 more
europepmc   +1 more source

Identification and validation of the VEGF/p38MAPK/HSP27 pro-tumor inflammatory pathway: screening of active components from Patrinia villosa and evaluation of their drug-likeness. [PDF]

Front Immunol
Li X, Ju Y, Yang X, Li T, Wang S, Bao Y, Meng X.   +6 more
europepmc   +1 more source

Organic Sunscreens and Their Products of Degradation in Biotic and Abiotic Conditions-In Silico Studies of Drug-Likeness and Human Placental Transport. [PDF]

Int J Mol Sci
Sobańska AW, Banerjee A, Roy K.
europepmc   +1 more source

Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADMET studies. [PDF]

PLoS Negl Trop Dis
Ja'afaru SC, Uzairu A, Hossain S, Ullah MH, Sallau MS, Ndukwe GI, Ibrahim MT, Bayil I, Moin AT, Moin AT.   +9 more
europepmc   +1 more source