Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


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Oseltamivir acid D3

Oseltamivir acid D3 (GS 4071 D3) is a deuterium labeled Oseltamivir acid. Oseltamivir acid, the active metabolite of Oseltamivir phosphate, is an orally bioavailable, potent and selective inhibitor of influenza virus neuraminidase (IC50=2 nM) with activity against both influenza A and B viruses[1][2].

  • CAS Number: 1242184-43-5
  • MF: C14H21D3N2O4
  • MW: 287.37000
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-5081090

PF-5081090 (LpxC-4) is a potent LpxC inhibitor, is a rapidly bactericidal with broad-spectrum activity. PF-5081090 serves as a regulator of lipid A biosynthesis in Gram-negative pathogens[1][2].

  • CAS Number: 1312473-63-4
  • MF: C18H21FN2O6S
  • MW: 412.43300
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aszonapyrone A

Aszonapyrone A is a metabolite produced by Aspergillus zonatus[1].

  • CAS Number: 83103-08-6
  • MF: C28H40O5
  • MW: 456.614
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 537.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 168.6±23.6 °C

Metalaxyl

Metalaxyl is a fungicide that inhibits protein synthesis in fungi. Metalaxyl inhibits the growth of potato blight (P. infestans) fungal isolates from Serbian potato fields (EC50s = 0.3-3.9 μg/mL).

  • CAS Number: 57837-19-1
  • MF: C15H21NO4
  • MW: 279.332
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 394.3±42.0 °C at 760 mmHg
  • Melting Point: 72-73°C
  • Flash Point: 192.3±27.9 °C

HBV-IN-38

HBV-IN-38 (Example 193) is an HBV DNA inhibitor (EC50≤100nM). HBV-IN-38 can be used to study viral infections[1].

  • CAS Number: 1834483-86-1
  • MF: C18H16F3N5O4S2
  • MW: 487.48
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UNII:C38638H76Y

Ulifloxacin is a broad-spectrum quinolone antibiotic. Ulifloxacin is the active metabolite of Prulifloxacin (HY-B0024). Ulifloxacin has anti-bacterial activity[1].

  • CAS Number: 112984-60-8
  • MF: C16H16FN3O3S
  • MW: 349.38
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 577.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.8±30.1 °C

Antibacterial agent 59

Antibacterial agent 59 (example 24) is a antibacterial agent (extracted from patent WO2013030735A1)[1].

  • CAS Number: 1426572-66-8
  • MF: C8H11N6NaO5S
  • MW: 326.26
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(2Z)-(2H2)-2-Butenedioic acid

Maleic Acid-d2 is the deuterium labeled Maleic Acid[1]. Maleic Acid is a Glutamate Decarboxylase (GAD) inhibitor of E. coli and L. monocytogenes[2][3].

  • CAS Number: 24461-33-4
  • MF: C4H2D2O4
  • MW: 118.085
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 355.5±25.0 °C at 760 mmHg
  • Melting Point: 137-140ºC(lit.)
  • Flash Point: 183.0±19.7 °C

Methyl cinnamate

Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1].

  • CAS Number: 103-26-4
  • MF: C10H10O2
  • MW: 162.185
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 261.9±0.0 °C at 760 mmHg
  • Melting Point: 34-38 °C(lit.)
  • Flash Point: 141.3±9.9 °C

Diclazuril

Diclazuril is an anti-coccidial drug. Target: AntiparasiticDiclazuril is a coccidiostat, the lambs treated with diclazuril showed an intense, persistent oocyst excretion, with average levels of 97.54 opg, considerably higher than those recorded in the animals treated with toltrazuril (p < 0.05) [1]. Diclazuril is effective against E. maxima later in its life cycle, subclinical intestinal lesions may be present for a short time after infection. Diclazuril was shown in studies to reduce lesion scores and improve performance and health of birds challenged with E. maxima [2].

  • CAS Number: 101831-37-2
  • MF: C17H9Cl3N4O2
  • MW: 407.638
  • Catalog: Parasite
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 548ºC
  • Flash Point: N/A

Pyocyanine

Pyocyanin (Pyocyanine) is a phenazine that is a toxic, quorum sensing (QS)-controlled metabolite produced by P. aeruginosa. Pyocyanin is a redox-active compound and promotes the generation of reactive oxygen species (ROS). Pyocyanin also possesses antibacterial properties and increases fitness in competition with other bacterial species[1].

  • CAS Number: 85-66-5
  • MF: C13H10N2O
  • MW: 210.231
  • Catalog: Bacterial
  • Density: 1.24g/cm3
  • Boiling Point: 403.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197.7ºC

Cassiaside B

Cassiaside B, a naphthopyrone, has potent antimicrobial activity[1].

  • CAS Number: 119170-51-3
  • MF: C26H30O14
  • MW: 566.50800
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 889.4±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Vebicorvir

Vebicorvir (ABI-H0731) is a first-generation hepatitis B virus (HBV) core protein inhibitor. Vebicorvir (ABI-H0731) suppresses covalently closed circular DNA (cccDNA) formation in two de novo infection models with EC50s from 1.84 μM to 7.3 μM[1].

  • CAS Number: 2090064-66-5
  • MF: C19H12F3N3O4S2
  • MW: 467.44
  • Catalog: HBV
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 566.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 296.3±30.1 °C

Haloxon

Haloxon is an organophosphorus anthelmintic once used against nematodes of the abomasum and small intestine in ruminants.

  • CAS Number: 321-55-1
  • MF: C14H14Cl3O6P
  • MW: 415.59000
  • Catalog: Parasite
  • Density: 1.5g/cm3
  • Boiling Point: 504.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 438.8ºC

Funalenone

Funalenone (BMS-304245) is a MraY + MurG inhibitor with an IC50 of 25.5 μM in a MraY + MurG membrane plate assay. Funalenone inhibits Staphylococcus aureus (A15090) with an MIC of 64 μg/mL. Funalenone also inhibits MMP-1 with an IC50 of 170 μM[1][2].

  • CAS Number: 259728-61-5
  • MF: C15H12O6
  • MW: 288.25
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KBR2738

Fenhexamid, a botryticide, is a sterol biosynthesis inhibitor. Fenhexamid shows fungicide efficient against the plant pathogenic fungus Botryotinia fuckeliana (Botrytis cinerea)[1].

  • CAS Number: 126833-17-8
  • MF: C14H17Cl2NO2
  • MW: 302.20
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 457.9±45.0 °C at 760 mmHg
  • Melting Point: 153ºC
  • Flash Point: 230.7±28.7 °C

Methyl carnosate

Methyl camosate is a diterpene isolated from Salvia officinalis or Rosmarinus officinalis. Methyl camosate has potent antioxidant and anti-bacterial activity[1][2].

  • CAS Number: 82684-06-8
  • MF: C21H30O4
  • MW: 346.46
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Florfenicol

Florfenicol, a commonly used veterinary antibiotic, is currently indicated for the treatment of bovine respiratory disease, and also used in aquaculture for the control of enteric septicemia in catfish. Florfenicol can induce early embryonic death in eggs, with an LC50 of 1.07 μg/g.

  • CAS Number: 73231-34-2
  • MF: C12H14Cl2FNO4S
  • MW: 358.213
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 617.5±55.0 °C at 760 mmHg
  • Melting Point: 153 °C
  • Flash Point: 327.3±31.5 °C

Celgosivir

Celgosivir (MBI 3253; MDL 28574; MX3253) is a novel α-glucosidase I inhibitor, an enzyme that plays a critical role in viral maturation by initiating the processing of the N-linked oligosaccharides of viral envelope glycoproteins.[1]

  • CAS Number: 121104-96-9
  • MF: C12H21NO5
  • MW: 259.299
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 422.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.6±28.7 °C

ARX-1796

ARX-1796 (AV-006), an Avibactam prodrug, is an orally bioavailable β-lactamase inhibitor. Avibactam has a spectrum of inhibition of class A and C β-lactamases, including ESBLs, AmpC and Klebsiella pneumoniae carbapenemase (KPC) enzymes[1][2].

  • CAS Number: 2245880-46-8
  • MF: C14H23N3O8S
  • MW: 393.41
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eubananin

Eubananin is an effective inhibitor of the ATPase activity of the SARS Coronavirus helicase with an IC50 value of 2.8 μM.

  • CAS Number: 858956-98-6
  • MF: C24H29NO10
  • MW: 491.49
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kasugamycin Hydrochloride

Kasugamycin hydrochloride (Ksg hydrochloride) is an antibiotic which binds both the 30S and 70S ribosome but not isolated 50S subunits. Kasugamycin hydrochloride (Ksg hydrochloride) mimics mRNA nucleotides to destabilize tRNA binding and inhibit canonical translation initiation[1][2].

  • CAS Number: 19408-46-9
  • MF: C14H26ClN3O9
  • MW: 415.824
  • Catalog: Bacterial
  • Density: 1.97g/cm3
  • Boiling Point: 628.2ºC at 760mmHg
  • Melting Point: 203ºC (dec)
  • Flash Point: 333.7ºC

CEF3

CEF3 (SIIPSGPLK) corresponds to aa 13-21 of the influenza A virus M1 protein. The matrix (M1) protein of influenza A virus is a multifunctional protein that plays essential structural and functional roles in the virus life cycle.

  • CAS Number: 199727-62-3
  • MF: C42H74N10O12
  • MW: 911.10
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Garvicin KS, GakA

Garvicin KS, GakA is a peptide at sizes of 34 amino acids to form bacteriocin garvicin KS (GarKS), with other 2 peptides, GakB, and GakC. Garvicin KS, GakA inhibits fibroblast viability and proliferation. Garvicin KS, GakA with GakB, is a potent combination with good peptide stability, antimicrobial efficacy, and fibroblast viability/proliferation effects. Garvicin KS peptides inhibit MSSA with MIC values in the order GakB >GakC >GakA[1].

  • CAS Number: 2098351-24-5
  • MF: C161H259N43O39S
  • MW: 3453.11
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isomitomycin A

Isomitomycin A is a potential inhibitor against SARS-CoV-2. Isomitomycin A targets to the hACE2 binding site of the modelled surface glycoprotein of SARS-CoV-2. Isomitomycin A can be used in studies of COVID-19[1].

  • CAS Number: 91917-64-5
  • MF: C16H19N3O6
  • MW: 349.33900
  • Catalog: SARS-CoV
  • Density: 1.5g/cm3
  • Boiling Point: 584.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.3ºC

DL-Leucine (2-13C)

(±)-Leucine-13C (DL-Leucine-13C) is the 13C-labeled (±)-Leucine. (±)-Leucine (DL-Leucine), an isomer of Leucine, chemosterilant and dietary additive. (±)-Leucine inhibits growth of Escherichia coli HfrH by 92.08%[1].

  • CAS Number: 65792-32-7
  • MF: C6H13NO2
  • MW: 132.166
  • Catalog: Bacterial
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 293-296ºC (subl.)(lit.)
  • Flash Point: N/A

Piperazine citrate

Piperazine Citrate is an organic compound that consists of a six-membered ring, containting two nitrogen atoms at opposite positions in the ring; first introduced in 1953 as an Anthelmintic.

  • CAS Number: 144-29-6
  • MF: C6H8O7.3/2C4H10N2
  • MW: 321.33
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: 812.2ºC
  • Melting Point: 183-187ºC
  • Flash Point: 445ºC

3,4,5-Trimethoxybenzaldehyde-d3

3,4,5-Trimethoxybenzaldehyde-d3 is the deuterium labeled 3,4,5-Trimethoxybenzaldehyde[1]. 3,4,5-Trimethoxybenzaldehyde is an intermediate for the synthesis of various pharmaceuticals, especially for?trimethoprim?used to treat bacterial infections, including urinary tract pathogens infection[2].

  • CAS Number: 1219805-17-0
  • MF: C10H9D3O4
  • MW: 199.21800
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-((4-Nitrophenyl)sulfonyl)piperidine

VP-4509, an anti-methicillin‐resistant Staphylococcus aureus (MRSA) agent, with the MIC of 49.3 µM. VP-4509 also possesses high antibacterial activity towards gram-negative bacteria P. aeruginosa[1].

  • CAS Number: 64268-93-5
  • MF: C11H14N2O4S
  • MW: 270.30500
  • Catalog: Bacterial
  • Density: 1.374g/cm3
  • Boiling Point: 435.9ºC at 760 mmHg
  • Melting Point: 166ºC
  • Flash Point: 217.4ºC

Emivirine

Emivirine (MKC-442) is a non-nucleoside reverse transcriptase inhibitors (NNRTIs) with Ki values of 0.20 and 0.01 μM for dTTP- and dGTP-dependent DNA or RNA polymerase activity, respectively. Emivirine displays potent and selective anti-human immunodeficiency virus type 1 (HIV-1) activity[1][2].

  • CAS Number: 149950-60-7
  • MF: C17H22N2O3
  • MW: 302.37
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A