Results 111 to 120 of about 26,166,385 (205)

Identification of novel STAT3 inhibitors for liver fibrosis, using pharmacophore-based virtual screening, molecular docking, and biomolecular dynamics simulations. [PDF]

Sci Rep, 2023
Rafiq H, Hu J, Hakami MA, Hazazi A, Alamri MA, Alkhatabi HA, Mahmood A, Alotaibi BS, Wadood A, Huang X.   +9 more
europepmc   +1 more source

Regulation of 11β-hydroxysteroid dehydrogenase isoforms: pharmacophore search and molecular design of prospective 11β-HSD1 inhibitors Authors

Research Results in Pharmacology
Introduction: Osteoporosis is an important medical and social public health problem in an aging or elderly society, the issue of pharmacological correction of which remains unresolved to this day.
Mikhail V. Korokin, Svetlana K. Kotovskaya, Tatyana V. Avtina, Ivan S. Koklin, Ilya I. Butorin, Konstantin V. Savateev, Grigoriy V. Urakov, Eduard I. Taran, Sergey V. Androv, Alim A. Kochkarov, Liliya V. Korokina, Victor V. Fedotov, Timofey D. Moseev, Oleg S. Gudyrev, Natalia V. Koroleva, Viktor V. Vasyutkin, Polina I. Pykhtina   +16 more
doaj   +1 more source

Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies. [PDF]

PLoS One, 2023
Ghorayshian A, Danesh M, Mostashari-Rad T, Fassihi A.   +3 more
europepmc   +1 more source

Comparative analysis of pharmacophore screening tools.

, 2012
Item does not contain fulltextThe pharmacophore concept is of central importance in computer-aided drug design (CADD) mainly because of its successful application in medicinal chemistry and, in particular, high-throughput virtual screening (HTVS).
Nicolaes, Gerry A. F., Barbosa, A.J., Nicolaes, G.A., Vlieg, J. de, Del Rio, Alberto, Zarzycka, B., Klomp, J.P.G., Rio, A. Del, Klomp, Jan P. G., Zarzycka, Barbara, de Vlieg, Jacob, Barbosa, Armenio J. M., Sanders, Marijn P. A., Nicolaes, Gerry A. F.; id_orcid, Sanders, M.P.A.   +14 more
core   +1 more source

Pharmacophore-Based Virtual Screening and Experimental Validation of Pyrazolone-Derived Inhibitors toward Janus Kinases. [PDF]

ACS Omega, 2022
Sanachai K, Mahalapbutr P, Hengphasatporn K, Shigeta Y, Seetaha S, Tabtimmai L, Langer T, Wolschann P, Kittikool T, Yotphan S, Choowongkomon K, Rungrotmongkol T.   +11 more
europepmc   +1 more source

Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors

International Journal of Medical Sciences, 2013
Akt2 is considered as a potential target for cancer therapy. In order to find novel Akt2 inhibitors which have different scaffolds, structure-based pharmacophore model and 3D-QSAR pharmacophore model were built and validated by different methods.
Jia Fei, Lu Zhou, Tao Liu, Xiang-Yang Tang
doaj  

Pharmacophore based virtual screening of cholinesterase inhibitors: search of new potential drug candidates as antialzheimer agents. [PDF]

In Silico Pharmacol, 2022
Lakra N, Matore BW, Banjare P, Singh R, Singh J, Roy PP.   +5 more
europepmc   +1 more source

Identification of BACE-1 Inhibitors against Alzheimer's Disease through E-Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation Studies: An Insilco Approach. [PDF]

Life (Basel), 2023
Chidambaram K.
europepmc   +1 more source

Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches. [PDF]

Int J Biol Macromol, 2023
Rehman HM, Sajjad M, Ali MA, Gul R, Naveed M, Aslam MS, Shinwari K, Bhinder MA, Ghani MU, Saleem M, Rather MA, Ahmad I, Amin A.   +12 more
europepmc   +1 more source

Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In Vitro Studies. [PDF]

Adv Pharmacol Pharm Sci, 2023
Iqbal M, Hasanah N, Arianto AD, Aryati WD, Puteri MU, Saputri FC.   +5 more
europepmc   +1 more source