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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SARS-CoV-2-IN-39

SARS-CoV-2-IN-39 (compound 21) is a SARS-CoV-2 inhibitor with an EC50 of 1 μM. SARS-CoV-2-IN-39 against SARS-CoV-2 by inhibiting of SKP2 protein and stabilizing BECN1[1].

  • CAS Number: 2882823-03-0
  • MF: C14H8ClF4NO3
  • MW: 349.66
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vebufloxacin

DM8966 exhibits potent antibacterial activity against gram-positive and -negative bacteria.

  • CAS Number: 79644-90-9
  • MF: C19H22FN3O3
  • MW: 359.39500
  • Catalog: Bacterial
  • Density: 1.41g/cm3
  • Boiling Point: 579.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304ºC

HIV-1 inhibitor-23

HIV-1 inhibitor-23 (compound 12a) is a highly potent HIV-1 non-nucleoside reverse transcriptase inhibitor, with EC50s of 24.9 nM and 10.4 nM for HIV-1 WT and HIV-1 K103N, respectively. HIV-1 inhibitor-23 has low cytotoxicity (CC50 > 221 μM) and a favorable in vitro microsomal stability[1].

  • CAS Number: 2554622-28-3
  • MF: C30H26N6O4S
  • MW: 566.63
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RRx-001

RRx-001 is a potent inhibitor of G6PD. RRx-001 shows potent antimalarial, although as a single agent, the drug sensitivity testing indicated that higher dose of RRx-001 was required to inhibited 50 % of the parasite's activity (IC50 = 0.14 ± 0.04 ug/ml).IC50 value: 0.14 ± 0.04 ug/ml [1]Target: G6PDin vitro: RRx-001 is a novel, systemically non-toxic, epigenetic anticancer agent for multiple tumour types, with activity mediated through increased nitric oxide (NO) production and PPP inhibition. [1]in vivo: RRx-001is a novel, nonexplosive molecule modified from a class of solid rocket propellants, has shown promise as a novel cancer therapeutic agent in a number of cell lines and tumor models. In mouse models, RRx-001 administered intravenously as a single agent was equipotent to cisplatin while better tolerated. RRx-001 also showed activity as a radiosensitizer in both in vitro and in vivo models. The activity of RRx-001 is thought to be associated with a nucleophilic substitution by circulating thiol compounds and covalent binding of RRx-001 to cysteinyl residues in Hb, followed by the generation of nitrogen oxides. [2]

  • CAS Number: 925206-65-1
  • MF: C5H6BrN3O5
  • MW: 268.02200
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antifungal agent 73

Antifungal agent 73 (compound A32) is an antifungal agent for azole-resistant candidiasis. Antifungal agent 73 disrupts the fungal cell wall and cell membrane. Antifungal agent 73 shows potent in vivo antifungal activity against pathogenic fungi and fluconazole-resistant strains[1].

  • CAS Number: 2923519-78-0
  • MF: C21H16Cl2N2O3
  • MW: 415.27
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lalistat 1

Lalistat 1 is a potent, selective, and competitive inhibitor of lysosomal acid lipase (LAL) and against purified human LAL (phLAL) with an IC50 of 68 nM. Lalistat 1 is a inhibitor of immunoglobulin A1 protease (IgA1P) proteases for H. influenzae, has less effects on other serine hydrolases (trypsin or β-lactamase, etc.). Lalistat 1 can be used for the research of niemann-pick type C (NPC) disease[2].

  • CAS Number: 501104-16-1
  • MF: C12H18N4O3S
  • MW: 298.36
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RDR 02308

RDR 02308 is a TLR4-MyD88 binding inhibitor that inhibits full-length β-lactamase[1].

  • CAS Number: 4155-82-2
  • MF: C19H15N3O3
  • MW: 333.34
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(2H5)Benzoic acid

Benzoic acid-d5 is a deuterium substitute for Benzoic acid. Benzoic acid is an aromatic alcohol that occurs naturally in many plants and is a common additive in food, beverages, cosmetics and other products. Benzoic acid can act as a preservative by inhibiting bacteria and fungi[1][2].

  • CAS Number: 1079-02-3
  • MF: C7HD5O2
  • MW: 127.152
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 249.3±9.0 °C at 760 mmHg
  • Melting Point: 121-125ºC(lit.)
  • Flash Point: 121.1±0.0 °C

Colistin sulfate

Colistin is a polypeptide antibiotic which inhibits gram-negative bacteria by binding to lipopolysaccharides and phospholipids in the outer cell membrane of gram-negative bacteria.

  • CAS Number: 1264-72-8
  • MF: C52H100N16O17S
  • MW: 1253.51
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1537.3±65.0 °C at 760 mmHg
  • Melting Point: 200-220°C
  • Flash Point: 883.5±34.3 °C

Hikizimycin

Hikizimycin is a potent anthelmintic and antibacterial natural product.

  • CAS Number: 12706-94-4
  • MF: C21H37N5O14
  • MW: 583.54
  • Catalog: Bacterial
  • Density: 2.08g/cm3
  • Boiling Point: 1030.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 576.8ºC

2-Chloro-N-(4-chlorophenyl)acetamide

2,4′-Dichloroacetanilide is a fungistatic agent. 2,4′-Dichloroacetanilide inhibits T. asteroides with a MIC value of 6.25 μg/mL[1].

  • CAS Number: 3289-75-6
  • MF: C8H7Cl2NO
  • MW: 204.05
  • Catalog: Fungal
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 368.8±27.0 °C at 760 mmHg
  • Melting Point: 168ºC
  • Flash Point: 176.8±23.7 °C

beta-solamarine

β-?Solamarine is an antibacterial agent[1].

  • CAS Number: 3671-38-3
  • MF: C45H73NO15
  • MW: 868.05900
  • Catalog: Bacterial
  • Density: 1.38g/cm3
  • Boiling Point: N/A
  • Melting Point: 275-277 °C
  • Flash Point: N/A

Sulfametrole

Sulfametrole is an orally active and potent antibacterial. Sulfametrole can be used for infections research, such as HIV, severe pneumonia and UTIs (urinary tract infections)[1][2].

  • CAS Number: 32909-92-5
  • MF: C9H10N4O3S2
  • MW: 286.33
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 496.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 253.8±31.5 °C

1,4-Naphthalenedione,2-phenyl-

Anti-infective agent 1 (compound 3a) is a potent and selective antiprotozoal and antimycobacterial agent. Anti-infective agent 1 shows antiparasitic activity against P. falciparum and T. brucei rhodesiense, with IC50 values of 10.95 and 0.06 μM, respectively. Anti-infective agent 1 shows antimycobacterial activity against Mycobacterium smegmatis with a MIC of 8 μg/mL[1].

  • CAS Number: 2348-77-8
  • MF: C16H10O2
  • MW: 234.25
  • Catalog: Bacterial
  • Density: 1.268g/cm3
  • Boiling Point: 414.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 155ºC

Closthioamide

Closthioamide is a potent inhibitor of bacterial DNA gyrase and highly active against Ec, MRSA, VRE and Mv), with MICs of 9.00 μM, 0.58 μM, 0.58 μM and 72.03 μM respectively.

  • CAS Number: 1227367-59-0
  • MF: C29H38N6O2S6
  • MW: 695.041
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 857.0±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 472.1±37.1 °C

SARS-CoV-2-IN-7

SARS-CoV-2-IN-7 inhibits viral replication with a nanomolar IC50 value (844 nM) in SARS-CoV-2-infected Vero E6 cells.

  • CAS Number: 2570461-66-2
  • MF: C14H8F3NOSe
  • MW: 342.17
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

tiadinil

Tiadinil is a plant activator of systemic acquired resistance, boosts the production of herbivore-induced plant volatiles; insecticide agent.

  • CAS Number: 223580-51-6
  • MF: C11H10ClN3OS
  • MW: 267.735
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Peretinoin

Peretinoin is an oral acyclic retinoid, inhibits HCV RNA amplification and virus release by altering lipid metabolism.Target: HCVin vitro: Peretinoin is an acyclic retinoid, improves the hepatic gene signature of chronic hepatitis C following curative therapy of hepatocellular carcinoma. Peretinoin is an oral acyclic retinoid with a vitamin A-like structure that targets retinoid nuclear receptors, such as retinoid X receptor and retinoic acid receptor. Peretinoin inhibits HCV RNA amplification and virus release by altering lipid metabolism. Peretinoin suppresses the RNA replication of H77S.3/GLuc2A most efficiently and its EC50 was 9 μM. Peretinoin may reduce the recurrence of hepatocellular carcinoma (HCC) following surgical ablation of primary tumours. Peretinoin inhibits RNA replication for all genotypes and showed the strongest antiviral effect among the retinoids tested. in vivo: In addition, Peretinoin prevents the development of hepatoma in several different hepatoma models.

  • CAS Number: 81485-25-8
  • MF: C20H30O2
  • MW: 302.45100
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone

2'-Hydroxy-3,4,4',6'-tetramethoxychalcone (Compound 5) has antibacterial activity, with a MIC value of 10 μg/mL for E. coli and S. epidermis. 2'-Hydroxy-3,4,4',6'-tetramethoxychalcone can be isolated from Piper obliquum[1].

  • CAS Number: 114021-62-4
  • MF: C20H22O7
  • MW: 374.38
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Difluoxacin hydrochloride

Difloxacin hydrochloride is a broad-spectrum antibacterial drug. Difloxacin hydrochloride inhibits bacterial DNA gyrase and exhibits a concentration-dependant bactericidal effect by interference with the activity of DNA gyrase and topoisomerase IV[1].

  • CAS Number: 91296-86-5
  • MF: C21H20ClF2N3O3
  • MW: 435.852
  • Catalog: Bacterial
  • Density: 1.409 g/cm3
  • Boiling Point: 595.5ºC at 760 mmHg
  • Melting Point: >245ºC (dec.)
  • Flash Point: 313.9ºC

succinylsulfathiazole

Succinylsulfathiazole is a sulfonamide, it is an ultra long acting drug.

  • CAS Number: 116-43-8
  • MF: C13H13N3O5S2
  • MW: 355.389
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 187 - 193ºC
  • Flash Point: N/A

Apramycin

Apramycin(Nebramycin II) is an aminoglycoside antibiotic used in veterinary medicine. IC50 value:Target: Apramycin stands out among aminoglycosides for its mechanism of action which is based on blocking translocation and its ability to bind also to the eukaryotic decoding site despite differences in key residues required for apramycin recognition by the bacterial target. The drug binds in the deep groove of the RNA which forms a continuously stacked helix comprising non-canonical C.A and G.A base pairs and a bulged-out adenine. The binding mode of apramycin at the human decoding-site RNA is distinct from aminoglycoside recognition of the bacterial target, suggesting a molecular basis for the actions of apramycin in eukaryotes and bacteria.

  • CAS Number: 37321-09-8
  • MF: C21H41N5O11
  • MW: 539.57700
  • Catalog: Bacterial
  • Density: 1.56 g/cm3
  • Boiling Point: 823ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 451.6ºC

Triclopyricarb

Triclopyricarb (SYP-7017) is a strobilurin fungicide that can be used in crops disease control. Triclopyricarb inhibits mycelial growth with EC50 values ranged from 0.006 µg/mL to 0.047 µg/mL[1][2].

  • CAS Number: 902760-40-1
  • MF: C15H13Cl3N2O4
  • MW: 391.63400
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: 450.5±55.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Chitinase

Chitinase has partial lysozyme activity and is widely found in bacteria, fungi, animals and some plants. Chitinase belongs to the glycosyl hydrolase family. Chitinase catalyzes chito-oligosaccharide hydrolysis[1].

  • CAS Number: 9001-06-3
  • MF: C20H21N5O2S.HCl
  • MW: 431.939
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-SJ733

(+)-SJ733 is a clinical candidate for malaria which can also inhibit Na+-ATPase PfATP4.

  • CAS Number: 1424799-20-1
  • MF: C24H16F4N4O2
  • MW: 468.40
  • Catalog: Parasite
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 599.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 316.0±30.1 °C

(±)-Alliin

(±)-Alliin is the main active component of garlic. (±)-Alliin is a putative inhibitor of the main protease of SARS-CoV-2 (Mpro)[1].

  • CAS Number: 17795-26-5
  • MF: C6H11NO3S
  • MW: 177.221
  • Catalog: SARS-CoV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 416.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.5±28.7 °C

Cloxacillin Sodium

Cloxacillin sodium exhibits antibiotic efficacy, with a MIC of 256 mg/L for Staphylococcus aureus 25923[1][2][3].

  • CAS Number: 642-78-4
  • MF: C19H17ClN3NaO5S
  • MW: 475.878
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 170ºC
  • Flash Point: N/A

Cleroindicin F

Cleroindicin F ((-)-Rengyolone), a cleroindicin, is an antimicrobial agent. Cleroindicin F shows relatively high anticandidal activity against Candida strains with a MIC value down to 12.5 µg/mL[1].

  • CAS Number: 189264-47-9
  • MF: C8H10O3
  • MW: 154.16
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 332.9±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 142.6±21.4 °C

DELAVIRDINE MESYLATE

Delavirdine mesylate is a potent non-nucleoside HIV-1 reverse transcriptase inhibitor (NNRTI) of HIV-1.

  • CAS Number: 147221-93-0
  • MF: C23H32N6O6S2
  • MW: 552.667
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: 732ºC at 760mmHg
  • Melting Point: 118-120ºC
  • Flash Point: 396.5ºC

2-Methyl-4-Isothiazolin-3-one

Methylisothiazolinone is a synthetic biocide and preservative that can be widely used in both industrial and consumer products. Methylisothiazolinone as a preservative in cosmetic and toiletrie products[1].

  • CAS Number: 2682-20-4
  • MF: C4H5NOS
  • MW: 115.154
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 182.8±23.0 °C at 760 mmHg
  • Melting Point: 254-256 °C(lit.)
  • Flash Point: 64.3±22.6 °C