Scusa.. ora ho visto A-PHP. (ma è quasi identico) forse un pelo meno potente di A-PVP.
Ecco "tips and tricks" perche ci si puo fare un idea di cosa comprare e degli effetti con le simulazioni di <bio-informatica>
Appena fatta ecco il report completo delle funzioni biologiche su cui agisce A-php.
Qua il report:
http://i64.tinypic.com/2prz69k.jpg
E qua i processi biologici su cui agisce:
Questo è GO (gene ontology) programma che consente di simulare l'espressione genica di un "homo sapiens" e visualizzare cosa succede a <un homo sapiens virtuale> quando gli dai da mangiare <una molecola virtuale>
Io non provo piu in prima persona... prima simulo al PC le molecole e effetti sull'uomo e scelgo quelle piu promettenti.
http://www.geneontology.org/
http://geneontology.org/page/ontology-documentation
Buon divertimento con "le simulazioni che si usano per scremare e fare un prima selezione dei nuovi farmaci".
E beh.. noi le usiamo per "altre molecole ma con lo stesso fine" scremare le cose buone da quelle "cacca"
Arrivato "il farmacologo" che vi mostra come si procede.
Benvenuti nel 2017! (Le molecole le do da mangiare alle simulazioni e vedo che fine fa la simulazione, poi se la simulazione mi dice che è cio che io cerco come effetti e\o sistemi biologici interessati, la provo)
Ah.dovrebbe essere possibile pure prevedere i metaboliti e loro eventuale tossicita (forse ho un altra simulazione per la tossicita)
Sto studiando questo adesso.. si risparmia un sacco di tempo cosi, rispetto a fare "prove sul colture di cellule" con assay vari.
The pharmacologist (Attenti! che è <<complessisimo e io non ho messo i vari LINK e nomi dei sistemi, solo funzioni molecolari e biologiche)
GO - Molecular functioni
metal ion binding Source: UniProtKB-KW
monoamine transmembrane transporter activity Source: MGI
norepinephrine:sodium symporter activity Source: Reactome
norepinephrine transmembrane transporter activity Source: GO_Central
Complete GO annotation...
GO - Biological processi
chemical synaptic transmission Source: ProtInc
monoamine transport Source: MGI
norepinephrine transport Source: GO_Central
response to drug Source: Ensembl
response to pain Source: Ensembl
transport Source: ProtInc
GO - Molecular functioni
actin filament binding Source: UniProtKB
cocaine binding Source: Ensembl
dopamine:sodium symporter activity Source: GO_Central
metal ion binding Source: UniProtKB-KW
monoamine transmembrane transporter activity Source: MGI
Rab GTPase binding Source: UniProtKB
serotonin:sodium symporter activity Source: UniProtKB
serotonin transmembrane transporter activity Source: UniProtKB
Complete GO annotation...
GO - Biological processi
brain morphogenesis Source: BHF-UCL
cellular response to cGMP Source: Ensembl
cellular response to retinoic acid Source: Ensembl
circadian rhythm Source: Ensembl
dopamine uptake involved in synaptic transmission Source: GO_Central
memory Source: Ensembl
monoamine transport Source: MGI
negative regulation of cerebellar granule cell precursor proliferation Source: Ensembl
negative regulation of neuron differentiation Source: Ensembl
negative regulation of organ growth Source: BHF-UCL
negative regulation of synaptic transmission, dopaminergic Source: Ensembl
neurotransmitter biosynthetic process Source: Reactome
positive regulation of cell cycle Source: Ensembl
positive regulation of gene expression Source: Ensembl
positive regulation of serotonin secretion Source: Ensembl
protein homooligomerization Source: Ensembl
protein oligomerization Source: UniProtKB
response to drug Source: Ensembl
response to estradiol Source: Ensembl
response to hypoxia Source: Ensembl
response to nutrient Source: Ensembl
response to toxic substance Source: UniProtKB
serotonin transport Source: UniProtKB
serotonin uptake Source: UniProtKB
social behavior Source: BHF-UCL
sperm ejaculation Source: Ensembl
thalamus development Source: UniProtKB
vasoconstriction Source: Ensembl
GO - Molecular functioni
glycine:sodium symporter activity Source: Reactome
neurotransmitter:sodium symporter activity Source: InterPro
transporter activity Source: GO_Central
Complete GO annotation...
GO - Biological processi
glycine secretion, neurotransmission Source: Ensembl
transport Source: ProtInc
dopamine:sodium symporter activity Source: GO_Central
dopamine binding Source: Ensembl
dopamine transmembrane transporter activity Source: UniProtKB
drug binding Source: Ensembl
metal ion binding Source: UniProtKB-KW
monoamine transmembrane transporter activity Source: MGI
Complete GO annotation...
GO - Biological processi
adenohypophysis development Source: Ensembl
aging Source: Ensembl
dopamine biosynthetic process Source: Ensembl
dopamine catabolic process Source: Ensembl
dopamine transport Source: UniProtKB
dopamine uptake Source: ParkinsonsUK-UCL
dopamine uptake involved in synaptic transmission Source: GO_Central
lactation Source: Ensembl
locomotory behavior Source: Ensembl
monoamine transport Source: MGI
neurotransmitter biosynthetic process Source: Reactome
positive regulation of multicellular organism growth Source: Ensembl
prepulse inhibition Source: Ensembl
regulation of dopamine metabolic process Source: Ensembl
response to cAMP Source: Ensembl
response to cocaine Source: Ensembl
response to drug Source: Ensembl
response to ethanol Source: Ensembl
response to iron ion Source: Ensembl
response to nicotine Source: Ensembl
sensory perception of smell Source: Ensembl
GO - Molecular functioni
glycine:sodium symporter activity Source: FlyBase
metal ion binding Source: UniProtKB-KW
neurotransmitter:sodium symporter activity Source: InterPro
Complete GO annotation...
GO - Biological processi
chemical synaptic transmission Source: ProtInc
glycine import Source: FlyBase
synaptic transmission, glycinergic Source: FlyBase
transport Source: ProtInc
GO - Molecular functioni
L-proline transmembrane transporter activity Source: GO_Central
neurotransmitter:sodium symporter activity Source: InterPro
proline:sodium symporter activity Source: Reactome
Complete GO annotation...
GO - Biological processi
proline transport Source: ProtInc
transport Source: ProtInc
GO - Molecular functioni
amino acid transmembrane transporter activity Source: Reactome
neurotransmitter:sodium symporter activity Source: InterPro
transporter activity Source: GO_Central
Complete GO annotation...
GO - Biological processi
amino acid transport Source: Reactome
cellular amino acid metabolic process Source: ProtInc
response to toxic substance Source: UniProtKB
transport Source: ProtInc
GO - Molecular functioni
dopamine binding Source: GO_Central
dopamine neurotransmitter receptor activity, coupled via Gi/Go Source: BHF-UCL
drug binding Source: BHF-UCL
identical protein binding Source: IntAct
potassium channel regulator activity Source: BHF-UCL
Complete GO annotation...
GO - Biological processi
activation of protein kinase activity Source: Ensembl
adenohypophysis development Source: BHF-UCL
adenylate cyclase-inhibiting dopamine receptor signaling pathway Source: BHF-UCL
adult walking behavior Source: BHF-UCL
arachidonic acid secretion Source: BHF-UCL
associative learning Source: BHF-UCL
auditory behavior Source: Ensembl
axonogenesis Source: BHF-UCL
behavioral response to cocaine Source: BHF-UCL
behavioral response to ethanol Source: BHF-UCL
branching morphogenesis of a nerve Source: BHF-UCL
cellular calcium ion homeostasis Source: BHF-UCL
cerebral cortex GABAergic interneuron migration Source: BHF-UCL
chemical synaptic transmission, postsynaptic Source: ParkinsonsUK-UCL
circadian regulation of gene expression Source: BHF-UCL
dopamine metabolic process Source: BHF-UCL
feeding behavior Source: Ensembl
G-protein coupled receptor internalization Source: Ensembl
grooming behavior Source: Ensembl
intracellular signal transduction Source: BHF-UCL
locomotory behavior Source: BHF-UCL
long-term memory Source: Ensembl
negative regulation of adenylate cyclase activity Source: BHF-UCL
negative regulation of blood pressure Source: BHF-UCL
negative regulation of cell migration Source: BHF-UCL
negative regulation of cell proliferation Source: BHF-UCL
negative regulation of circadian sleep/wake cycle, sleep Source: Ensembl
negative regulation of cytosolic calcium ion concentration Source: GO_Central
negative regulation of dopamine receptor signaling pathway Source: BHF-UCL
negative regulation of dopamine secretion Source: Ensembl
negative regulation of innate immune response Source: Ensembl
negative regulation of insulin secretion Source: Ensembl
negative regulation of protein kinase B signaling Source: BHF-UCL
negative regulation of protein secretion Source: BHF-UCL
negative regulation of synaptic transmission, glutamatergic Source: BHF-UCL
negative regulation of voltage-gated calcium channel activity Source: BHF-UCL
neurological system process involved in regulation of systemic arterial blood pressure Source: BHF-UCL
neuron-neuron synaptic transmission Source: BHF-UCL
orbitofrontal cortex development Source: Ensembl
peristalsis Source: BHF-UCL
phosphatidylinositol metabolic process Source: BHF-UCL
phospholipase C-activating dopamine receptor signaling pathway Source: MGI
pigmentation Source: Ensembl
positive regulation of cytokinesis Source: UniProtKB
positive regulation of cytosolic calcium ion concentration involved in phospholipase C-activating G-protein coupled signaling pathway Source: BHF-UCL
positive regulation of dopamine uptake involved in synaptic transmission Source: BHF-UCL
positive regulation of ERK1 and ERK2 cascade Source: Ensembl
positive regulation of glial cell-derived neurotrophic factor secretion Source: CACAO
positive regulation of G-protein coupled receptor protein signaling pathway Source: Ensembl
positive regulation of growth hormone secretion Source: BHF-UCL
positive regulation of long-term synaptic potentiation Source: Ensembl
positive regulation of multicellular organism growth Source: Ensembl
positive regulation of neuroblast proliferation Source: BHF-UCL
positive regulation of receptor internalization Source: Ensembl
positive regulation of renal sodium excretion Source: Ensembl
positive regulation of transcription from RNA polymerase II promoter Source: Ensembl
positive regulation of urine volume Source: Ensembl
prepulse inhibition Source: BHF-UCL
protein localization Source: BHF-UCL
regulation of cAMP metabolic process Source: BHF-UCL
regulation of dopamine secretion Source: GO_Central
regulation of dopamine uptake involved in synaptic transmission Source: BHF-UCL
regulation of heart rate Source: BHF-UCL
regulation of locomotion involved in locomotory behavior Source: Ensembl
regulation of long-term neuronal synaptic plasticity Source: BHF-UCL
regulation of phosphoprotein phosphatase activity Source: Ensembl
regulation of potassium ion transport Source: BHF-UCL
regulation of sodium ion transport Source: BHF-UCL
regulation of synapse structural plasticity Source: Ensembl
regulation of synaptic transmission, GABAergic Source: BHF-UCL
release of sequestered calcium ion into cytosol Source: BHF-UCL
response to amphetamine Source: BHF-UCL
response to axon injury Source: Ensembl
response to cocaine Source: BHF-UCL
response to drug Source: BHF-UCL
response to histamine Source: BHF-UCL
response to hypoxia Source: Ensembl
response to inactivity Source: Ensembl
response to iron ion Source: Ensembl
response to light stimulus Source: BHF-UCL
response to morphine Source: BHF-UCL
response to nicotine Source: Ensembl
response to toxic substance Source: GO_Central
sensory perception of smell Source: BHF-UCL
striatum development Source: Ensembl
synapse assembly Source: BHF-UCL
synaptic transmission, dopaminergic Source: GO_Central
temperature homeostasis Source: BHF-UCL
visual learning Source: BHF-UCL
Wnt signaling pathway Source: Ensembl
GO - Molecular functioni
C3HC4-type RING finger domain binding Source: BHF-UCL
delayed rectifier potassium channel activity Source: BHF-UCL
identical protein binding Source: IntAct
inward rectifier potassium channel activity Source: BHF-UCL
phosphorelay sensor kinase activity Source: InterPro
protein homodimerization activity Source: BHF-UCL
scaffold protein binding Source: BHF-UCL
ubiquitin protein ligase binding Source: BHF-UCL
voltage-gated potassium channel activity Source: BHF-UCL
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarization Source: BHF-UCL
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization Source: BHF-UCL
Complete GO annotation...
GO - Biological processi
cardiac conduction Source: Reactome
cardiac muscle contraction Source: BHF-UCL
cellular response to drug Source: BHF-UCL
membrane depolarization during action potential Source: BHF-UCL
membrane repolarization during action potential Source: BHF-UCL
membrane repolarization during cardiac muscle cell action potential Source: BHF-UCL
membrane repolarization during ventricular cardiac muscle cell action potential Source: BHF-UCL
negative regulation of potassium ion export Source: BHF-UCL
negative regulation of potassium ion transmembrane transport Source: BHF-UCL
positive regulation of potassium ion transmembrane transport Source: BHF-UCL
potassium ion export Source: BHF-UCL
potassium ion export across plasma membrane Source: BHF-UCL
potassium ion homeostasis Source: BHF-UCL
potassium ion transmembrane transport Source: BHF-UCL
regulation of heart rate by cardiac conduction Source: BHF-UCL
regulation of heart rate by hormone Source: BHF-UCL
regulation of membrane potential Source: BHF-UCL
regulation of membrane repolarization Source: BHF-UCL
regulation of potassium ion transmembrane transport Source: BHF-UCL
regulation of ventricular cardiac muscle cell membrane repolarization Source: BHF-UCL
ventricular cardiac muscle cell action potential Source: BHF-UCL
GO - Molecular functioni
voltage-gated potassium channel activity Source: GO_Central
Complete GO annotation...
GO - Biological processi
regulation of membrane potential Source: GO_Central
GO - Molecular functioni
voltage-gated potassium channel activity Source: GO_Central
Complete GO annotation...
GO - Biological processi
regulation of membrane potential Source: GO_Central
GO - Molecular functioni
drug binding Source: ProtInc
opioid receptor activity Source: Ensembl
Complete GO annotation...
GO - Biological processi
lipid transport Source: UniProtKB-KW
nervous system development Source: Ensembl
protein homotrimerization Source: UniProtKB
regulation of neuron apoptotic process Source: UniProtKB
GO - Molecular functioni
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding Source: UniProtKB
drug binding Source: UniProtKB
G-protein coupled serotonin receptor activity Source: UniProtKB
neurotransmitter receptor activity Source: GO_Central
serotonin binding Source: UniProtKB
virus receptor activity Source: UniProtKB-KW
Complete GO annotation...
GO - Biological processi
activation of phospholipase C activity Source: UniProtKB
aging Source: Ensembl
artery smooth muscle contraction Source: Ensembl
behavioral response to cocaine Source: Ensembl
cell death Source: Ensembl
cellular calcium ion homeostasis Source: UniProtKB
chemical synaptic transmission Source: ProtInc
detection of mechanical stimulus involved in sensory perception of pain Source: Ensembl
detection of temperature stimulus involved in sensory perception of pain Source: Ensembl
memory Source: Ensembl
negative regulation of potassium ion transport Source: Ensembl
negative regulation of synaptic transmission, glutamatergic Source: Ensembl
phosphatidylinositol 3-kinase signaling Source: UniProtKB
phospholipase C-activating G-protein coupled receptor signaling pathway Source: GO_Central
phospholipase C-activating serotonin receptor signaling pathway Source: Ensembl
positive regulation of cell proliferation Source: Ensembl
positive regulation of ERK1 and ERK2 cascade Source: UniProtKB
positive regulation of fat cell differentiation Source: Ensembl
positive regulation of glycolytic process Source: Ensembl
positive regulation of MAP kinase activity Source: Ensembl
positive regulation of peptidyl-tyrosine phosphorylation Source: Ensembl
positive regulation of phosphatidylinositol biosynthetic process Source: UniProtKB
positive regulation of vasoconstriction Source: Ensembl
protein localization to cytoskeleton Source: Ensembl
regulation of behavior Source: InterPro
regulation of dopamine secretion Source: Ensembl
regulation of hormone secretion Source: InterPro
release of sequestered calcium ion into cytosol Source: UniProtKB
response to drug Source: UniProtKB
serotonin receptor signaling pathway Source: UniProtKB
sleep Source: Ensembl
temperature homeostasis Source: Ensembl
urinary bladder smooth muscle contraction Source: Ensembl
GO - Molecular functioni
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine binding Source: UniProtKB
drug binding Source: UniProtKB
G-protein coupled serotonin receptor activity Source: MGI
Gq/11-coupled serotonin receptor activity Source: UniProtKB
neurotransmitter receptor activity Source: GO_Central
serotonin binding Source: UniProtKB
Complete GO annotation...
GO - Biological processi
behavioral fear response Source: UniProtKB
cellular calcium ion homeostasis Source: UniProtKB
cGMP biosynthetic process Source: UniProtKB
chemical synaptic transmission Source: ProtInc
feeding behavior Source: UniProtKB
locomotory behavior Source: InterPro
phospholipase C-activating G-protein coupled receptor signaling pathway Source: UniProtKB
phospholipase C-activating serotonin receptor signaling pathway Source: UniProtKB
positive regulation of cytosolic calcium ion concentration involved in phospholipase C-activating G-protein coupled signaling pathway Source: UniProtKB
positive regulation of ERK1 and ERK2 cascade Source: UniProtKB
positive regulation of fat cell differentiation Source: Ensembl
positive regulation of phosphatidylinositol biosynthetic process Source: UniProtKB
regulation of appetite Source: UniProtKB
regulation of corticotropin-releasing hormone secretion Source: UniProtKB
regulation of neurological system process Source: UniProtKB
release of sequestered calcium ion into cytosol Source: UniProtKB
response to drug Source: UniProtKB
serotonin receptor signaling pathway Source: UniProtKB
GO - Molecular functioni
drug binding Source: UniProtKB
G-protein alpha-subunit binding Source: UniProtKB
G-protein coupled serotonin receptor activity Source: UniProtKB
GTPase activator activity Source: UniProtKB
neurotransmitter receptor activity Source: GO_Central
serotonin binding Source: UniProtKB
Complete GO annotation...
GO - Biological processi
activation of phospholipase C activity Source: UniProtKB
behavior Source: UniProtKB-KW
calcium-mediated signaling Source: UniProtKB
cardiac muscle hypertrophy Source: UniProtKB
cellular calcium ion homeostasis Source: UniProtKB
cellular response to temperature stimulus Source: UniProtKB
cGMP biosynthetic process Source: UniProtKB
embryonic morphogenesis Source: UniProtKB
ERK1 and ERK2 cascade Source: UniProtKB
G-protein coupled receptor internalization Source: Ensembl
G-protein coupled receptor signaling pathway Source: UniProtKB
heart morphogenesis Source: UniProtKB
intestine smooth muscle contraction Source: UniProtKB
negative regulation of apoptotic process Source: UniProtKB
negative regulation of autophagy Source: UniProtKB
negative regulation of cell death Source: UniProtKB
neural crest cell differentiation Source: UniProtKB
neural crest cell migration Source: UniProtKB
phosphatidylinositol 3-kinase signaling Source: UniProtKB
phospholipase C-activating G-protein coupled receptor signaling pathway Source: GO_Central
phosphorylation Source: UniProtKB
positive regulation of cell division Source: UniProtKB
positive regulation of cell proliferation Source: UniProtKB
positive regulation of cytokine production Source: UniProtKB
positive regulation of cytokine secretion Source: UniProtKB
positive regulation of endothelial cell proliferation Source: UniProtKB
positive regulation of ERK1 and ERK2 cascade Source: UniProtKB
positive regulation of I-kappaB kinase/NF-kappaB signaling Source: UniProtKB
positive regulation of MAP kinase activity Source: UniProtKB
positive regulation of nitric-oxide synthase activity Source: UniProtKB
positive regulation of phosphatidylinositol biosynthetic process Source: UniProtKB
protein kinase C-activating G-protein coupled receptor signaling pathway Source: UniProtKB
protein kinase C signaling Source: UniProtKB
regulation of behavior Source: UniProtKB
release of sequestered calcium ion into cytosol Source: UniProtKB
response to drug Source: UniProtKB
serotonin receptor signaling pathway Source: UniProtKB
vasoconstriction Source: UniProtKB