Details of Drug Off-Target (DOT)

General Information of Drug Off-Target (DOT) (ID: OTZ3YQFU)

DOT Name	Caspase-1 (CASP1)
Synonyms	CASP-1; EC 3.4.22.36; Interleukin-1 beta convertase; IL-1BC; Interleukin-1 beta-converting enzyme; ICE; IL-1 beta-converting enzyme; p45
Gene Name	CASP1
UniProt ID	CASP1_HUMAN
3D Structure	Download 2D Sequence (FASTA) Download 3D Structure (PDB) Download
PDB ID	1BMQ ; 1IBC ; 1ICE ; 1RWK ; 1RWM ; 1RWN ; 1RWO ; 1RWP ; 1RWV ; 1RWW ; 1RWX ; 1SC1 ; 1SC3 ; 1SC4 ; 2FQQ ; 2H48 ; 2H4W ; 2H4Y ; 2H51 ; 2H54 ; 2HBQ ; 2HBR ; 2HBY ; 2HBZ ; 3D6F ; 3D6H ; 3D6M ; 3E4C ; 3NS7 ; 5FNA ; 5MMV ; 5MTK ; 6BZ9 ; 6F6R ; 6KN0 ; 6PZP ; 6VIE ; 7KEU ; 8WRA
EC Number	3.4.22.36
Pfam ID	PF00619 ; PF00656
Sequence	MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDS VIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDN PAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRT GAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIR EGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVG VSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEY ACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
Function	Thiol protease involved in a variety of inflammatory processes by proteolytically cleaving other proteins, such as the precursors of the inflammatory cytokines interleukin-1 beta (IL1B) and interleukin 18 (IL18) as well as the pyroptosis inducer Gasdermin-D (GSDMD), into active mature peptides. Plays a key role in cell immunity as an inflammatory response initiator: once activated through formation of an inflammasome complex, it initiates a pro-inflammatory response through the cleavage of the two inflammatory cytokines IL1B and IL18, releasing the mature cytokines which are involved in a variety of inflammatory processes. Cleaves a tetrapeptide after an Asp residue at position P1. Also initiates pyroptosis, a programmed lytic cell death pathway, through cleavage of GSDMD. In contrast to cleavage of interleukin IL1B, recognition and cleavage of GSDMD is not strictly dependent on the consensus cleavage site but depends on an exosite interface on CASP1 that recognizes and binds the Gasdermin-D, C-terminal (GSDMD-CT) part. Cleaves and activates CASP7 in response to bacterial infection, promoting plasma membrane repair. Upon inflammasome activation, during DNA virus infection but not RNA virus challenge, controls antiviral immunity through the cleavage of CGAS, rendering it inactive. In apoptotic cells, cleaves SPHK2 which is released from cells and remains enzymatically active extracellularly ; [Isoform Delta]: Apoptosis inactive; [Isoform Epsilon]: Apoptosis inactive.
Tissue Specificity	Expressed in larger amounts in spleen and lung. Detected in liver, heart, small intestine, colon, thymus, prostate, skeletal muscle, peripheral blood leukocytes, kidney and testis. No expression in the brain.
KEGG Pathway	Efferocytosis (hsa04148 ) Necroptosis (hsa04217 ) Neutrophil extracellular trap formation (hsa04613 ) NOD-like receptor sig.ling pathway (hsa04621 ) Cytosolic D.-sensing pathway (hsa04623 ) C-type lectin receptor sig.ling pathway (hsa04625 ) Amyotrophic lateral sclerosis (hsa05014 ) Pathogenic Escherichia coli infection (hsa05130 ) Shigellosis (hsa05131 ) Salmonella infection (hsa05132 ) Pertussis (hsa05133 ) Legionellosis (hsa05134 ) Yersinia infection (hsa05135 ) Influenza A (hsa05164 ) Coro.virus disease - COVID-19 (hsa05171 ) Lipid and atherosclerosis (hsa05417 )
Reactome Pathway	Interleukin-1 processing (R-HSA-448706 ) Pyroptosis (R-HSA-5620971 ) TP53 Regulates Transcription of Caspase Activators and Caspases (R-HSA-6803207 ) The NLRP3 inflammasome (R-HSA-844456 ) The AIM2 inflammasome (R-HSA-844615 ) The IPAF inflammasome (R-HSA-844623 ) Interleukin-37 signaling (R-HSA-9008059 ) Purinergic signaling in leishmaniasis infection (R-HSA-9660826 ) SARS-CoV-1 activates/modulates innate immune responses (R-HSA-9692916 ) NOD1/2 Signaling Pathway (R-HSA-168638 )
BioCyc Pathway	MetaCyc:HS06387-MONOMER

Molecular Interaction Atlas (MIA) of This DOT

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This DOT

50 Drug(s) Affected the Gene/Protein Processing of This DOT

Drug Name	Drug ID	Highest Status	Interaction	REF
Valproate	DMCFE9I	Approved	Valproate decreases the expression of Caspase-1 (CASP1).	[1]
Ciclosporin	DMAZJFX	Approved	Ciclosporin decreases the expression of Caspase-1 (CASP1).	[2]
Tretinoin	DM49DUI	Approved	Tretinoin increases the expression of Caspase-1 (CASP1).	[3]
Acetaminophen	DMUIE76	Approved	Acetaminophen decreases the expression of Caspase-1 (CASP1).	[4]
Doxorubicin	DMVP5YE	Approved	Doxorubicin increases the expression of Caspase-1 (CASP1).	[5]
Cupric Sulfate	DMP0NFQ	Approved	Cupric Sulfate decreases the expression of Caspase-1 (CASP1).	[6]
Cisplatin	DMRHGI9	Approved	Cisplatin increases the expression of Caspase-1 (CASP1).	[7]
Estradiol	DMUNTE3	Approved	Estradiol decreases the expression of Caspase-1 (CASP1).	[2]
Quercetin	DM3NC4M	Approved	Quercetin decreases the expression of Caspase-1 (CASP1).	[8]
Temozolomide	DMKECZD	Approved	Temozolomide increases the expression of Caspase-1 (CASP1).	[9]
Arsenic trioxide	DM61TA4	Approved	Arsenic trioxide increases the expression of Caspase-1 (CASP1).	[10]
Hydrogen peroxide	DM1NG5W	Approved	Hydrogen peroxide increases the expression of Caspase-1 (CASP1).	[11]
Calcitriol	DM8ZVJ7	Approved	Calcitriol increases the expression of Caspase-1 (CASP1).	[12]
Testosterone	DM7HUNW	Approved	Testosterone decreases the expression of Caspase-1 (CASP1).	[13]
Zoledronate	DMIXC7G	Approved	Zoledronate increases the expression of Caspase-1 (CASP1).	[14]
Phenobarbital	DMXZOCG	Approved	Phenobarbital affects the expression of Caspase-1 (CASP1).	[15]
Demecolcine	DMCZQGK	Approved	Demecolcine increases the expression of Caspase-1 (CASP1).	[17]
Cannabidiol	DM0659E	Approved	Cannabidiol decreases the expression of Caspase-1 (CASP1).	[18]
Ethanol	DMDRQZU	Approved	Ethanol increases the expression of Caspase-1 (CASP1).	[20]
Paclitaxel	DMLB81S	Approved	Paclitaxel increases the expression of Caspase-1 (CASP1).	[21]
Clozapine	DMFC71L	Approved	Clozapine increases the activity of Caspase-1 (CASP1).	[22]
Menthol	DMG2KW7	Approved	Menthol decreases the expression of Caspase-1 (CASP1).	[23]
Cyclophosphamide	DM4O2Z7	Approved	Cyclophosphamide decreases the expression of Caspase-1 (CASP1).	[24]
Gefitinib	DM15F0X	Approved	Gefitinib increases the activity of Caspase-1 (CASP1).	[25]
Ritonavir	DMU764S	Approved	Ritonavir decreases the expression of Caspase-1 (CASP1).	[27]
Isoproterenol	DMK7MEY	Approved	Isoproterenol decreases the expression of Caspase-1 (CASP1).	[28]
Cimetidine	DMH61ZB	Approved	Cimetidine increases the activity of Caspase-1 (CASP1).	[29]
Sanguinarine	DMDINFS	Approved	Sanguinarine increases the expression of Caspase-1 (CASP1).	[10]
Imiquimod	DM1TMA3	Approved	Imiquimod increases the activity of Caspase-1 (CASP1).	[32]
Urethane	DM7NSI0	Phase 4	Urethane decreases the expression of Caspase-1 (CASP1).	[33]
Resveratrol	DM3RWXL	Phase 3	Resveratrol increases the expression of Caspase-1 (CASP1).	[34]
Curcumin	DMQPH29	Phase 3	Curcumin increases the expression of Caspase-1 (CASP1).	[35]
Seocalcitol	DMKL9QO	Phase 3	Seocalcitol increases the expression of Caspase-1 (CASP1).	[36]
DNCB	DMDTVYC	Phase 2	DNCB increases the activity of Caspase-1 (CASP1).	[38]
GSK2110183	DMZHB37	Phase 2	GSK2110183 increases the expression of Caspase-1 (CASP1).	[39]
(+)-JQ1	DM1CZSJ	Phase 1	(+)-JQ1 decreases the expression of Caspase-1 (CASP1).	[41]
PF-3758309	DM36PKZ	Phase 1	PF-3758309 decreases the expression of Caspase-1 (CASP1).	[43]
THAPSIGARGIN	DMDMQIE	Preclinical	THAPSIGARGIN increases the expression of Caspase-1 (CASP1).	[44]
Bisphenol A	DM2ZLD7	Investigative	Bisphenol A decreases the expression of Caspase-1 (CASP1).	[45]
Formaldehyde	DM7Q6M0	Investigative	Formaldehyde increases the expression of Caspase-1 (CASP1).	[17]
Paraquat	DMR8O3X	Investigative	Paraquat decreases the expression of Caspase-1 (CASP1).	[46]
Glyphosate	DM0AFY7	Investigative	Glyphosate increases the expression of Caspase-1 (CASP1).	[47]
D-glucose	DMMG2TO	Investigative	D-glucose increases the expression of Caspase-1 (CASP1).	[48]
Phencyclidine	DMQBEYX	Investigative	Phencyclidine increases the expression of Caspase-1 (CASP1).	[49]
cinnamaldehyde	DMZDUXG	Investigative	cinnamaldehyde increases the expression of Caspase-1 (CASP1).	[50]
Chlorpyrifos	DMKPUI6	Investigative	Chlorpyrifos increases the expression of Caspase-1 (CASP1).	[51]
acrolein	DMAMCSR	Investigative	acrolein increases the expression of Caspase-1 (CASP1).	[52]
Staurosporine	DM0E9BR	Investigative	Staurosporine increases the activity of Caspase-1 (CASP1).	[55]
PATULIN	DM0RV9C	Investigative	PATULIN increases the expression of Caspase-1 (CASP1).	[56]
CHLORANIL	DMCHGF1	Investigative	CHLORANIL increases the expression of Caspase-1 (CASP1).	[57]
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⏷ Show the Full List of 50 Drug(s)

8 Drug(s) Affected the Protein Interaction/Cellular Processes of This DOT

Drug Name	Drug ID	Highest Status	Interaction	REF
Fluorouracil	DMUM7HZ	Approved	Fluorouracil increases the cleavage of Caspase-1 (CASP1).	[16]
Hydroquinone	DM6AVR4	Approved	Hydroquinone increases the cleavage of Caspase-1 (CASP1).	[19]
Imatinib	DM7RJXL	Approved	Imatinib increases the cleavage of Caspase-1 (CASP1).	[26]
Ropivacaine	DMSPJG2	Approved	Ropivacaine increases the cleavage of Caspase-1 (CASP1).	[30]
ICARIIN	DMOJQGT	Phase 3	ICARIIN increases the cleavage of Caspase-1 (CASP1).	[37]
LY294002	DMY1AFS	Phase 1	LY294002 increases the cleavage of Caspase-1 (CASP1).	[42]
Dibutyl phthalate	DMEDGKO	Investigative	Dibutyl phthalate increases the cleavage of Caspase-1 (CASP1).	[53]
Uric acid	DMA1MKT	Investigative	Uric acid increases the cleavage of Caspase-1 (CASP1).	[54]
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⏷ Show the Full List of 8 Drug(s)

3 Drug(s) Affected the Post-Translational Modifications of This DOT

Drug Name	Drug ID	Highest Status	Interaction	REF
Salicyclic acid	DM2F8XZ	Approved	Salicyclic acid increases the phosphorylation of Caspase-1 (CASP1).	[31]
Benzo(a)pyrene	DMN7J43	Phase 1	Benzo(a)pyrene increases the methylation of Caspase-1 (CASP1).	[40]
Caprylic acid	DMLGS82	Investigative	Caprylic acid increases the phosphorylation of Caspase-1 (CASP1).	[31]
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