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.


Anti-infection >
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6-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid

NS1-IN-1 (compound 3) is a potent NS1 inhibitor. NS1 is a major influenza A virus virulence factor that inhibits host gene expression. NS1-IN-1 decreases viral protein levels, contributing to the reduction of virus replication. NS1-IN-1 shows antiviral activity by repressing the activity of mTORC1 in a TSC1-TSC2-dependent manner[1].

  • CAS Number: 181373-35-3
  • MF: C23H26N2O4
  • MW: 394.46400
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Peptide 5e

Peptide 5e is an antimicrobial peptide. Peptide 5e inhibits E. coli, S. aureus, and C. albicans with MIC values of 30, 5, 25 μg/mL respectively[1].

  • CAS Number: 908065-89-4
  • MF: C69H118N14O14
  • MW: 1367.76
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfadimethoxypyrimidine D4

Sulfadimethoxypyrimidine D4 is a deuterium labeled Sulfadimethoxypyrimidine. Sulfadimethoxypyrimidine is a sulfonamide antibiotic with a broad-spectrum antibacterial effect[1].

  • CAS Number: 1392211-88-9
  • MF: C12H10D4N4O4S
  • MW: 314.35
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hexetidine

Hexetidine is an anti-bacterial and anti-fungal agent commonly used in both veterinary and human medicine, is a local anesthetic.

  • CAS Number: 141-94-6
  • MF: C21H45N3
  • MW: 339.602
  • Catalog: Bacterial
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 388.2±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 175.0±13.8 °C

Ponazuril

Toltrazuril sulfone is an antiprotozoal agent that acts upon Coccidia parasites.IC50 Value:Target: AntiparasiticPonazuril (INN, Toltrazuril sulfone), sold by the Bayer Corporation under the trade name Marquis, is a drug currently approved for the treatment of equine protozoal myeloencephalitis in horses, caused by Sarcocystis neurona. More recently, veterinarians have been preparing a formulary version of the medication for use in small animals such as cats and dogs against coccidia, an intestinal parasite. Coccidia treatment is far shorter than treatment for EPM. Ponazuril (INN, Toltrazuril sulfone) is useful for Antiprotozoal.

  • CAS Number: 69004-04-2
  • MF: C18H14F3N3O6S
  • MW: 457.38000
  • Catalog: Parasite
  • Density: 1.507g/cm3
  • Boiling Point: N/A
  • Melting Point: 242°
  • Flash Point: N/A

HIV-1 inhibitor-19

HIV-1 inhibitor-19 is a potent HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI). HIV-1 inhibitor-19 maintains its inhibitory activity against L100I, K103N and V106A/ F227L mutant strains with EC50s of 7.3 nM, 9.2 nM and 21.0 nM, respectively[1].

  • CAS Number: 2649837-82-9
  • MF: C24H22BClN2O5S
  • MW: 496.77
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chloroquine diphosphate

Chloroquine (diphosphate) is an antimalarial and anti-inflammatory drug widely used to treat malaria and rheumatoid arthritis. Chloroquine is an inhibitor of autophagy and toll-like receptors (TLRs).

  • CAS Number: 50-63-5
  • MF: C18H32ClN3O8P2
  • MW: 515.862
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: 460.6ºC at 760 mmHg
  • Melting Point: 200 °C (dec.)(lit.)
  • Flash Point: 232.3ºC

Cephalexin (hydrochloride)

Cefalexin hydrochloride is a cephalosporin antibiotic.Target: AntibacterialCefalexin (INN, BAN) or cephalexin (USAN, AAN) is a first-generation cephalosporin antibiotic introduced in 1967 by Eli Lilly and Company. It is an orally administered agent with a similar antimicrobial spectrum to the intravenous agents cefalotin and cefazolin. It was first marketed as Keflex (Lilly), and is marketed under several other trade names. As of 2008, cefalexin was the most popular cephalosporin antibiotic in the United States, with more than 25 million prescriptions of its generic versions alone, for US$255 million in sales (though less popular than two other antibiotics, amoxicillin and azithromycin, each with 50 million prescriptions per year).Cefalexin is marketed by generic pharmaceutical manufacturers under a wide range of brand names, including: Apo-Cephalex, Biocef, Cefanox, Ceforal, Cephabos, Cephalexin, Cephorum, Ceporex, Cilex, Ialex, Ibilex, Kefexin, Keflet, Keflex, Rekosporin, Keforal, Keftab, Keftal, Lopilexin, Larixin, Novo-Lexin, Ospexin, Tenkorex, Zephalexin, Panixine Disperdose, Rancef, Sialexin, Sporidex and Ulexin. A version of Keflex 750 mg capsules is marketed for twice-daily dosage, to improve compliance. However, it is not a sustained release formulation, and since it is more expensive than the older strengths, some physicians prescribe three 250 mg capsules to be taken twice daily, as a less expensive alternative.

  • CAS Number: 59695-59-9
  • MF: C16H18ClN3O4S
  • MW: 383.85000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(4,5,5,5,5',5',5'-2H7)Leucine

(±)-Leucine-d7 is the deuterium 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: 259225-40-6
  • MF: C6H6D7NO2
  • MW: 138.22
  • Catalog: Bacterial
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 225.8±23.0 °C at 760 mmHg
  • Melting Point: 293-296ºC (subl.)(lit.)
  • Flash Point: 90.3±22.6 °C

squalamine lactate

Squalamine lactate is an aminosterol compound discovered in the tissues of the dogfish shark, with antimicrobial activity, and used for the treatment of neovascular age-related macular degeneration.

  • CAS Number: 320725-47-1
  • MF: C37H71N3O8S
  • MW: 736.055
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cephalonium

Cefalonium is the first-generation β-lactam cephalosporin antibiotic that is widely used to research bovine mastitis caused by Gram-positive bacteria including staphylococci[1][2][3].

  • CAS Number: 5575-21-3
  • MF: C20H18N4O5S2
  • MW: 458.51
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 147-150° (dec)
  • Flash Point: N/A

LW3

LW3 is a potent antifungal agent. LW3 has antifungal activity with EC50 values of 0.54, 0.09, 1.52, and 2.65 mg/L against B. cinerea, R. solani, S. sclerotiorum, and F. graminearum, respectively[1].

  • CAS Number: 2803367-68-0
  • MF: C17H12F3N3O
  • MW: 331.29
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NHC-diphosphate

NHC-diphosphate is an active phosphorylated intracellular metabolite of β-d-N4-Hydroxycytidine (NHC) (HY-125033) as a diphosphate form[1]. NHC is a pyrimidine ribonucleoside and behaves as a potent anti-virus agent. NHC effectively inhibits the replication of venezuelan equine encephalitis virus (VEEV), Chikungunya virus (CHIKV)  and hepatitis C virus (HCV)[1].

  • CAS Number: 39023-73-9
  • MF: C9H15N3O12P2
  • MW: 419.18
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Saikosaponin B2

Saikosaponin B2 is an active component from Bupleurum kaoi root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2].

  • CAS Number: 58316-41-9
  • MF: C42H68O13
  • MW: 780.982
  • Catalog: HCV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 909.9±65.0 °C at 760 mmHg
  • Melting Point: 231-238ºC
  • Flash Point: 504.1±34.3 °C

ABT-072

ABT-072 is a nonnucleoside NS5B polymerase inhibitor and a candidate drug evaluated for treatment of hepatitis C virus.

  • CAS Number: 1132936-00-5
  • MF: C24H27N3O5S
  • MW: 469.553
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PHENOTHRIN

Phenothrin is a synthetic pyrethroid that kills adult fleas and ticks. It has also been used to kill head lice in humans.

  • CAS Number: 26002-80-2
  • MF: C23H26O3
  • MW: 350.451
  • Catalog: Parasite
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 437.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 186.6±23.3 °C

Lagociclovir valactate

Lagociclovir valactate is a prodrug of Lagociclovir (HY-14844). Lagociclovir valactate is an orally active anti-HBV agent[1].

  • CAS Number: 1001670-19-4
  • MF: C19H27FN6O6
  • MW: 454.45
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diphyllin

Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3].

  • CAS Number: 22055-22-7
  • MF: C21H16O7
  • MW: 380.34800
  • Catalog: HIV
  • Density: 1.445g/cm3
  • Boiling Point: 638.8ºC at 760 mmHg
  • Melting Point: 290 ºC (methanol )
  • Flash Point: 232.4ºC

Eugenol

Eugenol is an essential oil found in cloves with antibacterial, anthelmintic and antioxidant activity. Eugenol is shown to inhibit lipid peroxidation.

  • CAS Number: 97-53-0
  • MF: C10H12O2
  • MW: 164.201
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 255.0±0.0 °C at 760 mmHg
  • Melting Point: −12-−10 °C(lit.)
  • Flash Point: 119.8±8.1 °C

YH-53

YH-53 is a potent 3CLpro inhibitor with Ki values of 6.3 nM, 34.7 nM for SARS-CoV-1 3CLpro and SARS-CoV-2 3CLpro, respectively. YH-53 strongly blocks the SARS-CoV-2 replication. YH-53 is a peptidomimetic compound with a unique benzothiazolyl ketone. YH-53 has the potential for COVID-19 research[1][2].

  • CAS Number: 1471484-62-4
  • MF: C30H33N5O5S
  • MW: 575.68
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Balapiravir

Balapiravir (R1626, Ro 4588161) is the prodrug of a nucleoside analogue inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase (R1479, RG1479).IC50 Value: Target: HCVBalapiravir(R-1626; R 1626; Ro 4588161) is useful for Anti HCV. Balapiravir (R1626) is the tri-isobutyrate ester prodrug of R1479 under clinical development to improve exposure of R1479 upon oral administration. Balapiravir was discontinued for safety reasons in 28-36% of patients (most often for lymphopenia) and the percentage of patients with serious adverse events (especially hematological, infection, ocular events) was dose related. Serious hematological adverse events (particularly neutropenia, lymphopenia) were more common in balapiravir recipients. Two deaths in the balapiravir/peginterferon alfa-2a/ribavirin combination groups were considered possibly related to study medication.

  • CAS Number: 690270-29-2
  • MF: C21H30N6O8
  • MW: 494.49800
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gageotetrin B

Gageotetrin B has antimicrobial activities. Gageotetrin B is more active against fungi compared to bacteria with MIC values of 0.01-0.04 μM[1].

  • CAS Number: 1536405-81-8
  • MF: C38H70N4O9
  • MW: 726.98
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Omadacycline (mesylate)

Omadacycline mesylate is a new tetracycline antibiotic in the pipeline, which can inhibit the 30s subunit of bacterial ribosome.IC50 Value: N/ATarget: Antibacterialin vitro: in vivo: Clinical trial: Phase III Study to Compare the Safety and Efficacy of PTK-0796 in Patients With Complicated Skin and Skin Structure Infection (CSSSI).

  • CAS Number: 1196800-40-4
  • MF: C30H44N4O10S
  • MW: 652.756
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tizoxanide-d4

Tizoxanide D4 (TIZ D4) is the deuterium labeled Tizoxanide. Tizoxanide is the active metabolite of Nitazoxanide, which is a thiazolide anti-infective compound against anaerobic bacteria, protozoa, and a range of viruses. Tizoxanide has anti-HIV-1 activities[1][2].

  • CAS Number: 1246817-56-0
  • MF: C10H3D4N3O4S
  • MW: 269.270
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ4796

JNJ4796 is an oral active fusion inhibitor of influenza virus, neutralizing influenza A group 1 viruses by inhibiting hemagglutinin (HA)-mediated fusion. JNJ4796 mimics the functionality of the broadly neutralizing antibodies (bnAbs)[1].

  • CAS Number: 2241664-16-2
  • MF: C28H27N9O3
  • MW: 537.57
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Medioresil

(+)-Medioresinol is a furofuran type lignan with antifungal, antibacterial and lesishmanicidal activities. (+)-Medioresinol leads to intracellular ROS accumulation and mitochondria-mediated apoptotic cell death in Candida albicans. (+)-Medioresinol can reduce the cardiovascular disease risk[1][2].

  • CAS Number: 40957-99-1
  • MF: C21H24O7
  • MW: 388.411
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 575.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.0±30.1 °C

aflatoxin Q1

Aflatoxin Q1 is a hydroxy metabolite of Aflatoxin B1 (AFB1), which is a mycotoxin produced by Aspergillus flavus (A. flavus). Aflatoxin Q1, as well as and aflatoxin B1 8,9-oxide, is the major oxidative products formed from aflatoxin B1 in human liver microsomes, at all substrate concentrations. the 3 alpha-hydroxylation of aflatoxin B1 to aflatoxin Q1 is a potentially significant detoxication pathway[1][2].

  • CAS Number: 52819-96-2
  • MF: C17H12O7
  • MW: 328.27
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HBV Seq1 aa:63-71

HBV Seq1 aa:63-71 is the fragment of hepatitis B virus (HBV)[1].

  • CAS Number: 189323-64-6
  • MF: C46H72N10O14S
  • MW: 1021.19
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tecovirimat

Tecovirimat(ST-246) is an orally bioavailable antipoxvirus compound; potent and selective active against multiple orthopoxviruses with EC50 about 10 nM.IC50 value: 10 nM [1]Target: antipoxvirusin vitro: ST-246 targets the cowpox virus V061 gene, which encodes a major envelope protein homologous to the vaccinia virus F13L gene product. The antiviral potency and selectivity of ST-246 was measured in CPE assays against a panel of DNA- and RNA-containing viruses. In these assays, the EC50 for inhibition of vaccinia virus was determined to be 0.01 μM, while the EC50 values for inhibition of unrelated viruses were >40 μM [1]. ST-246 was evaluated for activity against cowpox virus (CV), vaccinia virus (VV), and ectromelia virus (ECTV) and had an in vitro 50% effective concentration (EC50) of 0.48 microM against CV, 0.05 microM against VV, and 0.07 microM against ECTV. The selectivity indices were >208 and >2,000 for CV and VV, respectively. The in vitro antiviral activity of ST-246 was significantly greater than that of cidofovir, which had an EC50 of 41.1 microM against CV and 29.2 microM against VV, with selectivity indices of >7 and >10, respectively [2]. in vivo: Mice were treated with placebo (vehicle), ST-246 administered by oral gavage at 50 mg/kg twice a day (b.i.d.) for 14 days, or CDV administered as a single intraperitoneal (i.p.) injection at 100 mg/kg. ST-246-treated mice mounted a protective immune response to vaccinia virus infection [1]. ST-246 administered once daily by oral gavage to mice infected intranasally with CV beginning 4 h or delayed until 72 h postinoculation was highly effective when given for a 14-day duration using 100, 30, or 10 mg/kg of body weight. When 100 mg/kg of ST-246 was administered to VV-infected mice, a duration of 5 days was sufficient to significantly reduce mortality even when treatment was delayed 24 h postinoculation. Viral replication in liver, spleen, and kidney, but not lung, of CV- or VV-infected mice was reduced by ST-246 compared to levels for vehicle-treated mice [2].

  • CAS Number: 869572-92-9
  • MF: C19H15F3N2O3
  • MW: 376.32900
  • Catalog: Arenavirus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Omadacycline-d9

Omadacycline-d9 is a deuterated aminomethylcycline omadacycline (HY-14865). Omadacycline is an orally active antibacterial agent and tetracycline antibiotic. Omadacycline binds to the 30S ribosomal subunit to inhibit bacterial protein synthesis. Omadacycline tosylate is indicated for the study of acute bacterial skin and skin structure infections, infectious pneumonia and urinary tract infections.

  • CAS Number: 2272886-41-4
  • MF: C29H31D9N4O7
  • MW: 565.71
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A