Results 151 to 160 of about 25,555 (231)

Designing Novel Compound Candidates Against SARS-CoV-2 Using Generative Deep Neural Networks and Cheminformatics. [PDF]

Int J Mol Sci
Li SY, Hung CM, Hung HY, Lai CW, Lee MC.
europepmc   +1 more source

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations. [PDF]

Sci Rep
Hajipasha A, Cherati NG, Darzi M, Nateghi SS, Mohsenian SAS, Noorzaei M, Dinaki FK, Halimi M.   +7 more
europepmc   +1 more source

Discovery of Influenza Neuraminidase Inhibitors: Structure-Based Virtual Screening and Biological Evaluation of Novel Chemotypes. [PDF]

Molecules
Gitto R, Lombardo L, Ravenda A, Broccolo F, Mastino A, De Luca L, Marino-Merlo F.   +6 more
europepmc   +1 more source

Computational identification of novel SIRT4 inhibitors for diabetic nephropathy using pharmacophore modeling, molecular simulations, and DFT calculations. [PDF]

PLoS One
He W, Chen J.
europepmc   +1 more source

From Deep-Sea Natural Product to Optimized Therapeutics: Computational Design of Marizomib Analogs. [PDF]

Int J Mol Sci
Alotaiq N, Dermawan D.
europepmc   +1 more source

Spatial relationships between the pharmacophores of endomorphin-2: a comparative study of stereoisomers

Open Chemistry, 2012
Leitgeb Balázs
doaj   +1 more source

Targeting Ubiquitin-Specific Protease 7 (USP7): A Pharmacophore-Guided Drug Repurposing and Physics-Based Molecular Simulation Study. [PDF]

ACS Omega
Kanan D, Kanan T, Dogan B, Erol I, Durdağı S.   +4 more
europepmc   +1 more source

In Silico and In Vitro Evaluation of Novel Small Molecule Inhibitors Targeting Apoptosis Pathways in Breast Cancer Cells. [PDF]

Asian Pac J Cancer Prev
Kumar P, Ike BW, Kumar RR, Bangalee V, Js A, Moudgil K.   +5 more
europepmc   +1 more source

Structure-based design of orthosteric and allosteric CCR2 inhibitors for potential IPF therapy. [PDF]

RSC Adv
Yan G, Huang J, Huang Z, Luo S, Guo H, Tao S, Li E, Liu Y, Huang J, Liu Y, Liu Z, Zhao S, Chen J, Lei M.   +13 more
europepmc   +1 more source