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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(2α,3α)-2,3,24-Trihydroxyurs-12-en-28-oic acid

Pygenic acid B is a triterpenoid that can be isolated from the leaves of Glochidion obliquum. Pygenic acid B shows antifungal activity against C. musae. Pygenic acid B shows ONOO- scavenging activity[1][2][3].

  • CAS Number: 89786-83-4
  • MF: C30H48O5
  • MW: 488.699
  • Catalog: Fungal
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 609.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.4±28.0 °C

SARS-CoV-2 Mpro-IN-1

SARS-CoV-2 Mpro-IN-1 (compound 16b-3) is a potent, selective and irreversible inhibitor of SARS-CoV-2 main protease (Mpro), with an IC50 of 116 nM[1].

  • CAS Number: 2758359-91-8
  • MF: C15H11FN2O2S
  • MW: 302.32
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

W13

W13 is a potent MsbA inhibitor. W13 is an ATPase stimulator with an EC50 of 5.5 µM[1].

  • CAS Number: 1060518-03-7
  • MF: C30H34N4O3
  • MW: 498.62
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sildenafil citrate-d8

Sildenafil (citrate)-d8 is the deuterium labeled Sildenafil citrate[1]. Sildenafil citrate is a potent phosphodiesterase type 5 (PDE5) inhibitor with IC50 of 5.22 nM.

  • CAS Number: 1215071-03-6
  • MF: C28H30D8N6O11S
  • MW: 674.75
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eberconazole

Eberconazole is a dichlorinated imidazole derivative with antifungal activity. Eberconazole is more active than Clotrimazole, Ketoconazole, and Miconazole. Eberconazole has the potential for the research of dermatophytoses with a topical administration[1].

  • CAS Number: 128326-82-9
  • MF: C18H14Cl2N2
  • MW: 329.22300
  • Catalog: Fungal
  • Density: 1.35g/cm3
  • Boiling Point: 495ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 253.2ºC

Famciclovir

Famciclovir(BRL 42810) is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections.IC50 Value: Refer to penciclovirTarget: HSVFamciclovir is the diacetyl 6-deoxy analog of the active antiviral compound penciclovir with potential use in the treatment of infections caused by the herpes family of viruses [1]. Famciclovir, a synthetic acyclic guanine derivative, is a prodrug which, after oral administration, is rapidly metabolised to the highly bioavailable antiviral compound penciclovir [2].in vitro: Famciclovir induced rapid, dose-dependent suppression of viral replication and reduction in alanine aminotransferase (ALT), with greatest efficacy in the 500-mg tid treatment group. HBV DNA reduction was maintained throughout the treatment period. ALT also steadily declined during the treatment period [3]. in vivo: In rat, following dosing at 40 mg/kg, famciclovir was rapidly and extensively metabolized to the active antiviral compound penciclovir, which reached peak concentrations in the plasma (mean 3.5 micrograms/ml) at 0.5 h [4]. Necrotic hepatitis was significantly (p < 0.01) reduced by treatment with FCV, VACV and ACV at a dose of 50 mg/kg per day divided into 3 doses. No significant effect was achieved with BVDU at 200 mg/kg per day. Treatment with FCV at 50 mg/kg per day, ACV at 100 mg/kg per day, and VACV at 200 mg/kg per day significantly (p < 0.001) decreased mortality in mice [5].Clinical trial: Famciclovir Pediatric Formulation In Children 1 to 12 Years Of Age With Herpes Simplex Infection. Phage3

  • CAS Number: 104227-87-4
  • MF: C14H19N5O4
  • MW: 321.332
  • Catalog: HSV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 550.2±60.0 °C at 760 mmHg
  • Melting Point: 102-104°C
  • Flash Point: 286.6±32.9 °C

7,4'-Dihydroxyhomoisoflavanone

(3R)-7,4’-Dihydrohomoisoflavanone is a natural product with antibacterial activities against S. aureus and methicillin-resistant Staphylococcus aureus (MRSA)[1].

  • CAS Number: 1178893-64-5
  • MF: C16H14O4
  • MW: 270.280
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 524.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.1±23.6 °C

PSI-7409

PSI-7409 is the active 5'-triphosphate metabolite of Sofosbuvir (PSI-7977). Sofosbuvir (PSI-7977) is a selective and highly active nucleotide analog inhibitor of HCV.

  • CAS Number: 1015073-42-3
  • MF: C10H16FN2O14P3
  • MW: 500.159
  • Catalog: HCV
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfaquinoxaline

Sulfaquinoxaline is an antimicrobial for veterinary use, with activity against a broad spectrum of Gram-negative and Gram-positive bacteria. Sulfaquinoxaline is used to prevent coccidiosis and bacterial infections[1][2].

  • CAS Number: 59-40-5
  • MF: C14H12N4O2S
  • MW: 300.336
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 557.0±52.0 °C at 760 mmHg
  • Melting Point: 247-2480C
  • Flash Point: 290.7±30.7 °C

Secologanin dimethyl acetal

Secologanin dimethyl acetal (Compound Ⅱ) is an iridoid glucoside that can be isolated from Pterocephalus perennis. Secologanin dimethyl acetal shows antimicrobial activity against S.aureus and S.epidermidi[1].

  • CAS Number: 77988-07-9
  • MF: C19H30O11
  • MW: 434.435
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 578.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197.0±23.6 °C

Fusidic acid (sodium salt)

Fusidic acid sodium salt is a bacteriostatic antibiotic.

  • CAS Number: 751-94-0
  • MF: C31H47NaO6
  • MW: 538.691
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 635.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197.6ºC

Lotilaner

Lotilaner is a parasiticide, acts as a potent non-competitive antagonist of insects GABACl receptors, with an IC50 of 23.84 nM for Drosophila melanogaster GABA receptor. No effect on a dog GABAA receptor[1].

  • CAS Number: 1369852-71-0
  • MF: C20H14Cl3F6N3O3S
  • MW: 596.76
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trimethoprim lactate

Trimethoprim lactic is a bacteriostatic antibiotic and an orally active dihydrofolate reductase inhibitor. Trimethoprim lactic is active against a wide range of Gram-positive and Gram-negative aerobic bacteria. Trimethoprim lactic has the potential for urinary tract infections, Shigellosis and Pneumocystis pneumonia treatment[1][2][3].

  • CAS Number: 23256-42-0
  • MF: C17H24N4O6
  • MW: 380.396
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 526ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 271.9ºC

Seselin

Seselin is an anticancer, antinociceptive, anti-inflammatory and antifungal agent. Seselin is orally active[1][2][3].

  • CAS Number: 523-59-1
  • MF: C14H12O3
  • MW: 228.24
  • Catalog: Fungal
  • Density: 1.222g/cm3
  • Boiling Point: 403ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 170.5ºC

punicalin

Punicalin is a hydrolyzable tannin isolated from Punica granatum L. or the leaves of Terminalia catappa L.. Punicalin is a anti-hepatitis B virus (HBV) agent and has anti-inflammatory activity[1][2].

  • CAS Number: 65995-64-4
  • MF: C34H22O22
  • MW: 782.525
  • Catalog: HBV
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: 1559.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 484.7±27.8 °C

RSV-IN-4

RSV-IN-4 (Compound 2) is a dual inhibitor of respiratory syncytial virus (RSV) and influenza virus A (IAV). RSV-IN-4 shows anti-RSV activity (EC50 = 11.76 μM)[1].

  • CAS Number: 862825-89-6
  • MF: C18H18N2O2S
  • MW: 326.41
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,3-Dithiane

1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

  • CAS Number: 505-23-7
  • MF: C4H8S2
  • MW: 120.236
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 195.0±23.0 °C at 760 mmHg
  • Melting Point: 52-54 °C(lit.)
  • Flash Point: 90.6±0.0 °C

Rifampicin

Rifampicin is a potent and broad spectrum antibiotic against bacterial pathogens.

  • CAS Number: 13292-46-1
  • MF: C43H58N4O12
  • MW: 822.940
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1004.4±65.0 °C at 760 mmHg
  • Melting Point: 183ºC (dec.)
  • Flash Point: 561.3±34.3 °C

Remdesivir nucleoside monophosphate

Remdesivir nucleoside monophosphate is a metabolite of Remdesivir[1]. Remdesivir is a nucleoside analogue with effective antiviral activity against SARS-CoV and MERS-CoV[2].

  • CAS Number: 1911578-74-9
  • MF: C12H14N5O7P
  • MW: 371.24
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 73

Antibacterial agent 73 (compound 7a) is a potent antimicrobial agent. Antibacterial agent 73 exhibits very good antitubercular activity (MIC=0.65 µg/mL) against Mtb H37Rv. Antibacterial agent 73 shows good activity against fungal and bacterial. Antibacterial agent 73 also shows cytotoxicity in MCF-7 breast cancer cell lines, with IC50 of 8.20 μM[1].

  • CAS Number: 414885-92-0
  • MF: C15H17FN2O
  • MW: 260.31
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hRSV-IN-1

hRSV-IN-1 is an inhibitor of respiratory syncytial virus (hRSV)[1][2].

  • CAS Number: 749868-66-4
  • MF: C24H25N5O3S
  • MW: 463.55
  • Catalog: RSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Methoxyberberium

1-Methoxyberberine chloride is a plant alkaloid that can be found in Corydalis longipes. 1-Methoxyberberine chloride exhibits antifungal effects[1].

  • CAS Number: 29133-52-6
  • MF: C21H20ClNO5
  • MW: 401.84
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Taribavirin

Taribavirin is an inosine monophosphate dehydrogenase inhibitor, has activity against a wide range of viruses, especially the hepatitis C virus and influenza virus[1].Taribavirin, is a ribavirin prodrug, is designed to concentrate within the liver to target HCV-infected hepatocytes while minimizing distribution within red blood cells (RBCs) and the development of hemolytic anemia[2].

  • CAS Number: 119567-79-2
  • MF: C8H13N5O4
  • MW: 243.22000
  • Catalog: HBV
  • Density: 2.08g/cm3
  • Boiling Point: 595.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 313.9ºC

Tromantadine hydrochloride

Tromantadine hydrochloride, an Amantadine derivative with antiherpetic activity, inhibits herpes simplex virus type 1 (HSV-1) and HSV-2 replication[1].

  • CAS Number: 41544-24-5
  • MF: C16H29ClN2O2
  • MW: 316.86700
  • Catalog: HSV
  • Density: N/A
  • Boiling Point: 434.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 216.6ºC

Chlormidazole hydrochloride

Chlormidazole hydrochloride is an antifungal agent and has inhibitory activity against many fungi and some gram-positive cocci. Chlormidazole hydrochloride can be applied in fungal and bacterial infections of nails and skin, including interdigital and periungual mycoses[1].

  • CAS Number: 74298-63-8
  • MF: C15H14Cl2N2
  • MW: 293.19100
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: 467.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.5ºC

Dehydroacetic acid sodium

Dehydroacetic acid sodium, a pyrone derivative acts as an antibacterial and antifungal agent. Dehydroacetic acid possess phytotoxic activity[1].

  • CAS Number: 4418-26-2
  • MF: C8H7NaO4
  • MW: 190.128
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 332.6ºC at 760 mmHg
  • Melting Point: ~295 °C (dec.)
  • Flash Point: 150.6ºC

OXACILLIN

Oxacillin is an orally active synthetic penicillin with good bactericidal activity against staphylococci and other gram-positive pathogens[1].

  • CAS Number: 66-79-5
  • MF: C19H19N3O5S
  • MW: 401.43600
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 188ºC
  • Flash Point: N/A

Potassium DL-lactate

Lactate (Lactic acid) potassium is used as a sodium chloride substitute in the elaboration of dry meat products. Lactate potassium (56%) and sodium diacetate (4%) mixture inhibit the development of L. sake and L. monocytogenes bacteria at 4℃ to extend the shelf life of food[1][2].

  • CAS Number: 996-31-6
  • MF: C3H5KO3
  • MW: 128.168
  • Catalog: Bacterial
  • Density: 1.316 g/ml (predict)
  • Boiling Point: 227.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 109.9ºC

guanosine 5'-(tetrahydrogen triphosphate)

Guanosine triphosphate is a native nucleotide. The derivatives of GTP may be used as specific inhibitors against COVID-19[1].

  • CAS Number: 86-01-1
  • MF: C10H16N5O14P3
  • MW: 523.18000
  • Catalog: SARS-CoV
  • Density: 2.75g/cm3
  • Boiling Point: 1028.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 575.7ºC

Trovafloxacin Mesylate

Trovafloxacin mesylate is a broad-spectrum quinolone antibiotic with potent activity against Gram-positive, Gram-negative and anaerobic organisms. Trovafloxacin mesylate blocks the DNA gyrase and topoisomerase IV activity. Trovafloxacin mesylate is also a potent, selective and orally active pannexin 1 channel (PANX1) inhibitor with an IC50 of 4 μM for PANX1 inward current. Trovafloxacin mesylate does not inhibit connexin 43 gap junction or PANX2. Trovafloxacin mesylate leads to dysregulated fragmentation of apoptotic cells by inhibiting PANX1[1][2][3].

  • CAS Number: 147059-75-4
  • MF: C21H19F3N4O6S
  • MW: 512.45900
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 630.5ºC at 760mmHg
  • Melting Point: >250 °C (dec.)
  • Flash Point: 335.1ºC