Results 81 to 90 of about 37,292 (264)
3D-QSAR study and development of pharmacophore for serotonin 5-HT2A receptors agonists [PDF]
Arhiv za farmaciju, 2017 All tested compounds show agonistic activity onserotonin5-HT2areceptors, which activation causes neuronal excitations, behavioral changes and platelet aggregation.
Radan Milica +4 more
doaj +1 more source
, 2019 A pharmacophore-directed retrosynthesis strategy applied to rameswaralide provided simplified precursors bearing the common 5,5,6 (red) and 5,5,7 (blue) skeleton present in several cembranoid and norcembranoids from Sinularia soft corals.
Khoi Van (7360223) +9 more
core +1 more source
Next generation 3D pharmacophore modeling [PDF]
, 2020 3D pharmacophore models are three‐dimensional ensembles of chemically defined interactions of a ligand in its bioactive conformation. They represent an elegant way to decipher chemically encoded ligand information and have therefore become a valuable ...
Noonan, Theresa +8 more
core +1 more source
Chemistry and pharmacological diversity of quinoxaline motifs as anticancer agents
Acta Pharmaceutica, 2019 Surpassing heart diseases, cancer is taking the lead as the deadliest disease because of its fast rate of spreading in all parts of the world. Tireless commitment to searching for novel therapeutic medicines is a worthwhile adventure in synthetic ...
Ajani Olayinka O. +5 more
doaj +1 more source
Searching for Chymase Inhibitors among Chamomile Compounds Using a Computational-Based Approach
Biomolecules, 2018 Inhibitors of chymase have good potential to provide a novel therapeutic approach for the treatment of cardiovascular diseases. We used a computational approach based on pharmacophore modeling, docking, and molecular dynamics simulations to evaluate the ...
Amit Dubey +4 more
doaj +1 more source
, 2019 Tau-tubulin kinase 1 inhibitors inhibit tau protein phosphorylation on Ser198, Ser199, Ser202, Ser422, and also in paired helical filaments. We developed receptor-based pharmacophore models by exploiting three TTBK1 protein structures, i.e., 4NFN, 4BTM ...
Srabanti Jana (4886143) +1 more
core +1 more source
, 2020 Rapamycin and their derivatives known as rapalogs were the first-generation mTOR inhibitors which interacted with mTORC1 but not with the mTORC2 protein.
Ekta Rathi (8428992) +4 more
core +1 more source
, 2022 4-Hydroxyphenylpyruvate dioxygenase (HPPD) is a functional protein existing in almost all aerobic organisms. In the field of agricultural chemicals, HPPD is acknowledged to be one of the crucial targets for herbicides at present due to its unique bio ...
Qiong Chen (327492) +7 more
core +1 more source
Frontiers in PharmacologyThe pursuit of small molecule inhibitors targeting hexokinase 2 (HK2) has significantly captivated the field of cancer drug discovery. Nevertheless, the creation of selective inhibitors aimed at specific isoforms of hexokinase (HK) remains a formidable ...
Purbali Chakraborty +9 more
doaj +1 more source
Crystal structure of 1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1H-imidazole
Acta Crystallographica Section E, 2014 In the title molecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, molecules are linked by weak C—H...N and C—H...O hydrogen bonds, forming layers parallel to (100).
Hayette Alliouche +4 more
doaj +1 more source