Microbiology/Virology

Neuraminidase-IN-4 inhibits neuraminidase (EC50: 1.59 μM) and has strong anti-H5N1 activity.

8-Hydroxyerythromycin A is a semi-synthetic antibiotic with antibacterial activity.

1,5-Dideoxy-1,5-imino-D-mannitol is an antibiotic with antibacterial properties.

Meclocycline: a tetracycline antibiotic, inhibits LDH, reduces cell toxicity from mutant huntingtin, doesn't change protein levels in PC12 cells.

Chitinase-IN-4 (compound 8f) is a potent and selective inhibitor of OfChi-h with an IC50 value of 0.1 μM and good insecticidal activity.

Tenellin is a fungal metabolite that inhibits Mg2+-, Ca2+-, and Na+/K+-ATPase activities in erythrocytes. Tenellin is cytotoxic to Sf9 and Sf21 insect cells.

WRN inhibitor 13 is an inhibitor of the WRN helicase with a pIC50 value ranging from 6 to 7.

ACHN-975 TFA is a selective inhibitor of the bacterial enzyme LpxC, antimicrobial against multiple Gram-negative bacteria.

Plevitrexed, an oral TS inhibitor (Ki: 0.44 nM), targets α-folate receptor & reduced folate carrier, treats gastric cancer.

DNA polymerase-IN-6 (Compound 27) exhibits inhibitory activity against DNA polymerase, with EC50 values of 0.33 µM for HCMV, 1.9 µM for HSV-1, 0.76 µM for HSV-2, and 0.066 µM for EBV.

Penethamate hydriodide is a diethylaminoethyl ester prodrug of penicillin, utilized via intramuscular injection to treat mastitis in cattle.

TKB272 is an orally active antiviral agent that selectively targets the main protease (Mpro) of SARS-CoV-2, effectively inhibiting the infection and replication of various strains, including Omicron variants (such as XBB.1.5 and EG.5.1). It exhibits an enzyme inhibitory activity with an IC50 of 0.7 µM against SARS-CoV-2WK-521 Mpro and shows potent antiviral activity at the cellular level with an EC50 as low as 2.6 nM in HeLahACE2-TMPRSS2 cells against the BQ.1.1 strain. TKB272 also has a CC50 of 98 µM, indicating low cytotoxicity. Furthermore, it demonstrates a significant suppression of SARS-CoV-2XBB.1.5 replication in the B6.Cg-Tg(K18-hACE2)2-Prlmn/J transgenic mouse model, suggesting potential use in the research of SARS-CoV-2 infections.

HIV-1inhibitor-82 (Compound L14) is a small molecule inhibitor of HIV-1 entry with oral bioavailability, exhibiting an IC50 value of 0.39 μM. It holds potential for research in combating HIV-1 infection.

RAD51-IN-8 inhibits RAD51-BRCA2 interaction and H4A4 with EC50 of 19 μM; a micromolar PPI inhibitor.

FNC-TP trisodium, active intracellular FNC form, inhibits NRTI, fights HIV, HBV, and HCV.

Succinate dehydrogenase-IN-8 (compound i19) is a potent inhibitor of succinate dehydrogenase (SDH). This indanoyl amino acid derivative demonstrates strong antifungal activity in vitro against Rhizoctonia solani (EC50 = 0.1843 mg/L), Botrytis cinerea (EC50 = 0.4829 mg/L), and Sclerotinia sclerotiorum (EC50 = 0.1349 mg/L).

L 689065 is a 5-lipoxygenase inhibitor.

4'-E-dA is a potent nucleoside RT inhibitor for drug-resistant HIV (EC50: 98 nM in MT-4 cells).

Antifungal agent 16 has antimicrobial activity comparable to that of ciprofloxacin and has higher antifungal activity than fluconazole.

C-467929 is an inhibitor of the Nsp15 endoribonuclease, exhibiting an IC50 value of 8 μM. This compound binds to the SARS-CoVNsp15 protein and is applicable for infection research.

Compound 3d: antitubercular, MIC 0.007 μg/mL vs MTB H37Rv, 1.851 μg/mL vs MDR-MTB 16833, metabolically unstable.

Mt KARI-IN-1 inhibits Mtb KARI with a 3.06 μM Ki, targeting tuberculosis.

Noracronycine is an alkaloid originally isolated from G. pentaphylla, known for its antimalarial activity. It is effective against P. yoelii at a concentration of 10 μg/mL.

epi-D-Captopril (epi-D-SQ 14225) is a stereoisomer of Captopril and functions as an inhibitor of metallo-beta-lactamases (MBLs). The IC50 values of epi-D-Captopril for NDM-1, IMP-1, and VIM-2 are 64 μM, 173 μM, and 5.5 μM, respectively. This compound holds potential for research in MBLs-related antibiotic-resistant infections.

CYP2C19-IN-1: potent CYP2C19 inhibitor, non-genotoxic, non-hepatotoxic, blocks RdRP (Ki: 6.16 μM), useful for ZIKV research.

10(R)-hydroxy Stearic acid is a hydroxy fatty acid resulting from the hydroxylation of oleic acid, produced by gut microbiota.

Compound 18a: potent vs. T. brucei (IC50: 0.47 μM), >2x efficacy compared to Nifurtimox, good ADME, binds AT-rich DNA.

Methyl 3-oxodecanoate exhibits virulence factor activity against human pathogens and shows effects on Synechococcus elongatus (a species of fluorescent algae) as well as on culture supernatant. Additionally, Methyl 3-oxodecanoate inhibits DNA synthesis by suppressing protein synthesis at the translation initiation level.

DIDS inhibits anion exchangers reversibly then irreversibly and blocks RAD51.

Streptothricin F is a biochemical.

SARS-CoV-2-IN-6 is an inhibitor of SARS-CoV-2 3CLpro with the IC 50 value of 73 nM.

Alphavirus-IN-1 blocks VEEV (EC50: 0.24 μM) & EEEV (EC50: 0.16 μM), non-toxic, stable in mice plasma.

PROTACeDHFR Degrader-2 (compound 7b) is an effective degrader targeting Escherichia coli dihydrofolate reductase (eDHFR), capable of reliably degrading eDHFR-tagged proteins.

DXR-IN-3 is an anti-Toxoplasma DXR inhibitor. It exhibits in vitro activity against the TgDXR enzyme, with an IC50 value of 0.62 μM and a Ki value of 0.19 μM. Furthermore, DXR-IN-3 can inhibit the proliferation of Toxoplasma, displaying an IC50 value of 5.46 μM.

2-Bromo-2'-methoxyacetophenone acts as an irreversible inhibitor of MurA, effectively inhibiting MurA in E. coli with an IC50 of 0.38 μM. This compound helps inhibit bacterial cell wall synthesis, making it useful in antimicrobial research.

(S)-ZG197 is a compound that acts as a highly selective activator of the Staphylococcus aureus Caseinolytic Protease P (Sa ClpP), demonstrating efficacy at a

Flutimide: Endonuclease inhibitor, IC50 = 3μM, for research on acute respiratory diseases like influenza.

HIV-IN-3 (Compound 22a) is a potent inhibitor of HIV (IC50: 1.5 μM). HIV-IN-3 has potential for the study of HIV-related diseases.

Arterolane, an adenosine triphosphatase inhibitor, is used potentially for the treatment of malaria.

FGI-106 combats Ebola, Rift Valley, Dengue Fever, HCV, and HIV-1; EC50s range from 100-900 nM.

Asukamycin, from S. nodosus asukaensis, is a polyketide antibiotic inhibiting tumor cells by activating caspases 8 and 3.

Triazophos is a non-systemic pesticide that acts as an acetylcholinesterase (AChE) inhibitor, forming a covalent and irreversible bond with the acetylcholine binding site. This action blocks the hydrolysis of acetylcholine, leading to increased excitability. It is effective against a wide range of soil insects and mites, including aphids, thrips, midges, beetles, lepidopteran larvae, mole crickets, and red spiders. Triazophos is suitable for use on various crops such as ornamental plants, cotton, rice, corn, soybeans, oil palm, olives, and coffee.

DL-2-Aminopimelic Acid acts as a weak agonist for glutamate receptors and also reduces the sensitivity of leech glutamate receptors to glutamate.

Compound 7b (Antibacterial agent 99) is an effective agent with antibacterial, antifungal properties and no haemolytic activity.

Ro 24-4383 is a carbamate-linked dual-action antibacterial agent.

Antibacterial agent 77 (compound 12) is an antibacterial agent [1].

Antifungal agent 38, a heterocyclic disulfide, shrinks hyphae and damages cell membranes, causing leakage.

Antiviralagent 67 (compound PC6) is an inhibitor of DENVNS5 (RNA-dependent RNA polymerase) with a Ki value of 1.12 nM.

LasR-IN-1 (9g) strongly inhibits LasR, potent vs E. coli, with a 28.13 μM MIC against P. aeruginosa.

CRS-3123, a methionyl-tRNA synthetase inhibitor, is used potentially for the treatment of enteric infections.

Amicoumacin A has antibacterial activity. It also strongly suppresses inflammatory and ulcer activity.

LN-439A (compound LN-439A) is a novel BAP1 inhibitor that suppresses the growth of basal-like breast cancer by degrading KLF5.

SARS-CoV-2 PLpro-IN-1 (Compound 85) is a non-covalent competitive inhibitor of SARS-CoV-2 PLpro with an IC50 value of 15.06 μM and a Ki value of 22.93 μM. It inhibits the proliferation of Vero cells, exhibiting an IC50 of 7.47 μM.

Bleomycin Free Base, a glycopeptide antibiotic, halts DNA function and treats solid tumors.

E6-272, an inhibitor of HPV 16, induced early and late apoptosis in HPV16-positive cervical cancer cells and inhibited the proliferation of SiHa and CaSki.

Ciluprevir is a selective HCV NS3 protease inhibitor, effective against non-genotype-1 HCV; less potent for genotypes 2/3.

3-Epiquinine is a Quinidine stereoisomer, used in malaria, antiarrhythmic, inhibits P450db, and blocks K+ channels, IC50: 19.9 μM.

Inactive enantiomer of Sofosbuvir, used for chronic hepatitis C; lacks reported biological activity.

Carbodine is an antiviral targeting CTP synthetase, effective against influenza A0/PR-8/34 and A2/Aichi/2/68.

DNDI-8219 is an antitubercular agent. It has potent antileishmanial effects.

Isopyrazam, a plant protection product, exhibits potent antifungal activity. When applied to crops, it effectively inhibits the growth of various plant pathogenic fungi, significantly enhancing both the yield and quality of the crops. This compound demonstrates exceptional disease resistance capabilities in agricultural applications.

Compound 34e inhibits DENV2/ZIKV proteases; IC50: 0.69 µM (DENV2), 1.04 µM (ZIKV).

Lentiginosine is a selective amyloglucosidase inhibitor.

Antitubercular agent-15 (5n): low toxicity, fights M. tuberculosis strains; MIC90 values range 0.73-18.8 μg/mL.

Anti-MRSA agent 3 targets MRSA with 0.098 μg/ml MIC, low toxicity, binds DNA, and disrupts cell walls/membranes.

Benzisothiazolone is an isothiazolinone fungicide that demonstrates growth inhibitory activity against Escherichia coli ATCC 8739 and yeast NCYC 1354. It is utilized in studies investigating growth inhibition models.

Homer is a probe designed to target WD repeat domain 5 (WDR5). In MV4-11 cells, Homer induces the degradation of WDR5 with a half-maximal degradation concentration (DC50) of 53 nM. At a concentration of 1 µM, Homer decreases the protein levels of WDR5 in MV4-11 cells without affecting the mRNA levels that encode WDR5.

Antitubercular agent-23 combats Candida albicans (MIC: 1.1 μg/ml) and M. tuberculosis (MIC: 1 μg/ml).

Compound 15f, a Clofazimine derivative, inhibits rabies (EC50: 1.45 μM) and SARS-CoV-2 (EC50: 14.6 μM).

H2S scavenger 1 triflate (Compound 7b) serves as a selective H2S depleting agent, particularly against glutathione. This compound impedes the formation of bacterial biofilms and enhances the sensitivity of Staphylococcus aureus to gentamicin or photosensitizers by depleting H2S.

Palmitanilide (Palmitic acid anilide) is an antimicrobial agent effective against Gram-positive bacteria. It can electrostatically bind to components of the cell wall of Gram-positive bacteria (such as Bacillus cereus), altering the membrane structure and affecting normal cellular functions. Palmitanilide shows potential for research into infections caused by Gram-positive bacteria.

BAR-072 is a small molecule inhibitor targeting TraE with a KD value of 2.7 µM. It significantly suppresses the transfer of the antibiotic resistance-associated plasmid pKM101. BAR-072 holds promise as a candidate molecule for research in disease areas related to infection and resistance control, by inhibiting the spread of bacterial resistance genes.

Antibiofilm agent-14 (compound 11) functions as an antibiofilm agent. It exhibits antifungal activity against C.albicans SC5314, with a minimum inhibitory concentration (MIC) of 50 μM.

CM-728 is an oxazanonaphthoquinone that exhibits cytotoxic and antibacterial properties. It acts as a human peroxidase-1 inhibitor and serves as a source of oxidative stress affecting mitochondrial function.

MT0703 is a cephalosporin antibiotic featuring an aminothiazolylglycyl moiety with a 1,5-dihydroxy-4-pyridinone-2-carbonyl group, displaying potent activity against Pseudomonas species.

AG-7404: strong protease inhibitor, fights poliovirus, EC50 0.080-0.674 μM, effective on V-073-resistant strains.

MsbA-IN-5 (compound 40) is a potent and highly selective inhibitor of MsbA (IC50: 2 nM). MsbA-IN-5 can be used in Gram-negative studies.

AB25583 is a small molecule inhibitor of Polθ helicase (Polθ-hel) with an IC50 of 6 nM. It selectively kills cells deficient in BRCA1/2 and synergizes with Olaparib in cancer cells harboring pathogenic BRCA1/2 mutations. AB25583 can be utilized in tumor research.

SP-471 is a potent inhibitor of dengue virus (DENV) protease (IC50: 18 μM) and inhibits the inter- and intramolecular protease processes of DENV.

FIZ1 degrader 1 (compound 1) is an IMiD-based molecular glue degrader targeting FIZ1.

Glasmacinal is a non-antibacterial macrolide compound with anti-inflammatory activities.

SARS-CoV-2-IN-22 is a SARS-CoV-2 pseudovirus inhibitor (IC50: 16.96 μM).

A 76889 is an inhibitor of HIV-1 protease.

HldA/E-IN-1 (compound 8) is a dual inhibitor of HldA/E, exhibiting IC50 values of 17.2 μM and 67.8 μM, respectively. This compound is utilized in research on antibacterial infections.

Laninamivir trifluoroacetate, a long-acting antiviral, treats and prevents Influenza A and B via nasal spray.

L-threo-β-Hydroxyaspartic acid is an amino acid antibiotic with activity against Bacillus subtilis, Xanthomonas oryzae, Mycobacterium phlei, and Botrytis cinerea.

QPX7728 is an of ultra-broad-spectrum boronic acid beta-lactamase.

CEN inhibitor IN-17 targets influenza A/H3N2; IC50: 1.29 μM. From patent CN112898346A, DSC701.

Antifungal agent 19 shows the potent antifungal activity ( EC 50 = 0.72 μM).

NNRT-IN-2 (compound 7w) is an orally administered non-nucleoside reverse transcriptase inhibitor (NNRTI) that effectively suppresses both wild-type HIV-1 and various mutant strains. It inhibits HIV-1 reverse transcriptase with an EC 50 value of 22 nM. Additionally, NNRT-IN-2 exhibits insensitivity to CYP and hERG, demonstrating favorable safety and pharmacokinetic profiles [1].

Antibacterial agent 78 (compound 30) is an antibacterial agent with improved cytotoxicity profile[1].

SARS-CoV-2-IN-99 (compound 58) is an inhibitor of the main protease of SARS-CoV-2.

SARS-CoV-2 nsp14-IN-2: Strong Nsp14 methyltransferase inhibitor (IC50: 0.09 μM), potential for COVID-19 research.

HCV-IN-7: potent oral HCV NS5A inhibitor, pan-genotypic, IC50s 3-47 pM, good pharmacokinetics, favorable liver uptake.

And1 degrader 1 (Compound A15) is a degrader of acidic nucleoplasmic DNA-binding protein 1 (And1) that notably induces degradation of And1 in NSCLC cells. When combined with Olaparib (1 μM), And1 degrader 1 at a concentration of 5 μM effectively inhibits proliferation in A549 and H460 cells. This compound is applicable in cancer research studies.

XR8-69 is a SARS-CoV-2 PLpro inhibitor. XR8-69 has a low micromolar antiviral effect in SARS-CoV-2 infected human cells.

Glutamate-5-kinase-IN-2 (compound 54) is a potent G5K inhibitor with 4.2 μM MIC, potential in anti-TB research.

Ladirubicin, as an anthracyclines analog is the leading compound of alkylcyclines.

OUN58101, also MDK-8101/BI-D, is an RSV L-protein inhibitor with no formal name, first reported in patent WO 2005042530.