title: Evaluation of proinflammatory cytokine pathway inhibitors for p38 MAPK inhibitory potential.
abstract: The target for the anti-inflammatory natural products like amentoflavone ( 2), which act by interfering with the proinflammatory cytokine pathway (e.g., TNF-alpha, IL-1beta, and NO synthase), is not yet well-defined. Data obtained from docking, electronic, and surface analyses shed some light on steric and electronic complementarity of these molecules to p38 MAPK, thereby suggesting a possible mechanism by which they might reduce the production of proinflammatory cytokines.
authors.affiliation: Centre of Pharmacoinformatics and Department of Natural Products, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India.
authors.forename: Rameshwar U
authors.initials: RU
authors.lastname: Kadam
authors.forename: Divita
authors.initials: D
authors.lastname: Garg
authors.forename: Atish T
authors.initials: AT
authors.lastname: Paul
authors.forename: K K
authors.initials: KK
authors.lastname: Bhutani
authors.forename: Nilanjan
authors.initials: N
authors.lastname: Roy
mesh_terms: D000893:Anti-Inflammatory Agents / Q000737:chemistry*; D044946:Biflavonoids / Q000737:chemistry; D016207:Cytokines / Q000037:antagonists & inhibitors*; D044950:Flavanones / Q000737:chemistry; D047309:Flavones / Q000737:chemistry*; D005419:Flavonoids / Q000737:chemistry; D005960:Glucosides / Q000737:chemistry; D006860:Hydrogen Bonding; D007093:Imidazoles / Q000737:chemistry*; D047311:Luteolin / Q000737:chemistry; D008958:Models, Molecular; D011725:Pyridines / Q000737:chemistry*; D013329:Structure-Activity Relationship; D048051:p38 Mitogen-Activated Protein Kinases / Q000037:antagonists & inhibitors* / Q000737:chemistry
chemical_list: D000893:Anti-Inflammatory Agents; D044946:Biflavonoids; D016207:Cytokines; D044950:Flavanones; D047309:Flavones; D005419:Flavonoids; D005960:Glucosides; D007093:Imidazoles; D011725:Pyridines; C452984:isoginkgetin; C066408:luteolin-7-glucoside; D048051:p38 Mitogen-Activated Protein Kinases; C005273:naringenin; D047311:Luteolin; C093642:SB 203580; C007619:eriodictyol