Microbiology/Virology

LNA-Adenosine (LNA-A) is a nucleoside analogue that acts as a ligand for adenosine A3 receptors.

TCMDC-135051: Selective PfCLK3 inhibitor, low toxicity, halts parasite growth & transmission; EC50=320 nM.

CeMMEC1 is an inhibitor of BRD4, and also has a great affinity for TAF1(IC50=0.9 μM).

Lomibuvir (VCH-222, VX-222) is an allosteric inhibitor of HCV NS5B with Kd 17 nM, blocks RNA elongation, EC50 5.2 nM for 1b/Con1.

Sorivudine (BV-araU) is an antiviral blocking DNA synthesis in viruses like varicella, HSV-1, and Epstein-Barr.

Jun13296 is an orally active quinoline SARS-CoV-2 papain-like protease inhibitor (IC50 = 0.13 µM, Ki = 8.8 nM). It demonstrates potent inhibitory effects against SARS-CoV-2 variants and Nirmatrelvir-resistant mutants. Jun13296 reduces lung viral titers and prevents lung tissue damage in SARS-CoV-2 infection models.

VPC-80051 is an hnRNP A1 splicing activity inhibitor that directly interacts with the hnRNP A1 RBD and reduces AR-V7 messenger levels in the 22Rv1 CRPC cell line. VPC-80051 is applicable in prostate cancer research.

Atramycin A is an anthraquinone antibiotic with antitumor properties.

GHP-88309 is an orally active, broad-spectrum anti-paramyxovirus agent that targets viral polymerase, interrupting viral RNA synthesis. It effectively inhibits respiratory syncytial virus (RSV), measles virus (MeV), and canine distemper virus (CDV) with an EC50 of 0.06-1.2 μM. In mouse models, GHP-88309 demonstrates significant anti-infective activity.

MRL-494, a small-molecule BamA inhibitor, resists efflux and outer membrane permeability, with antibacterial properties.

MI-1851 is a potent peptidomimetic inhibitor. MI-1851could prevent proteolytic processing of the S protein from SARSCoV-2 by endogenous furin in HEK293 cells.

Lamivudine, a drug for HIV-1 and HBV, inhibits reverse transcriptase and resembles zalcitabine.

Antifungal agent 11 has a good antifungal effect.

Compound 11i: potent, non-toxic anti-tuberculosis biphenyl analogue.

Finafloxacin is a pH-activated fluoroquinolone, most effective at pH 5.0-6.0, targeting bacterial topoisomerases, used for UTIs and H. pylori infections.

(R)-ZG197: Activates Sa ClpP (EC50=1.5μM) & Hs ClpP (EC50=31.4μM); selective for Sa ClpP.

Anti-MRSA agent 23 (compound 11) is a potent agent against methicillin-resistant Staphylococcus aureus. This compound exhibits both antibacterial and antibiofilm properties. It facilitates the healing and reconstruction of MRSA-infected skin wounds by reducing bacterial load, alleviating inflammation, and promoting angiogenesis.

ACSS2-IN-1, a potent ACSS2 inhibitor, has IC50 0.01-<1 nM; useful in cancer research.

Gougerotin is an inhibitor of protein synthesis.

844-TFM, a NBTI DNA gyrase blocker, IC50: 1.5 μM, kills Mycobacterium abscessus.

TREX1-IN-4 (Compound 96) is an inhibitor of TREX1 and TREX2, exhibiting an IC50 of less than 0.1 μM for TREX1 and an IC50 of less than 1 μM for TREX2. It has an EC50 ranging from 0.1 to 10 μM in HCT116 cells. TREX1-IN-4 is applicable for research in the field of cancer.

ddCTP trisodium, an HIV reverse transcriptase target, aids AIDS research and DNA sequencing as a ddNTP.

OPC-167832: oral dprE1 inhibitor, IC50 0.258 μM, anti-tuberculosis, for Mycobacterium tuberculosis research.

Werner syndrome RecQ helicase-IN-2 is a potent Werner syndrome RecQ DNA helicase (WRN) inhibitor, useful in research on colorectal and gastric cancers.

Antibacterialagent 266 (Compound C5) is an inhibitor of plant pathogenic bacteria that disrupts the integrity of bacterial cell membranes. It exhibits an EC50 of 24.1 μg/mL against Xanthomonasoryzaepvoryzae (Xoo) and 39.0 μg/mL against X. axonopodispvcitri (Xac). Antibacterialagent 266 is valuable for research in plant pathology and the development of agricultural antibacterial agents.

QPX7728 methoxy acetoxy methy ester is an inhibitor of boronic acid β-lactamase.

Aurachin C is a quinoline alkaloid belonging to the isoprenoid class, known for its antimalarial, antifungal, and antibacterial properties. It acts as a selective terminal oxidase inhibitor.

NDM-1 inhibitor-7 (Compound A8) is an NDM-1 inhibitor with an IC50 of 10.284 μM. It restores the ability of meropenem (MEM) to penetrate the cell wall of Gram-negative bacteria and effectively reinstates MEM's antibacterial activity against NDM-1 positive Escherichia coli. Moreover, NDM-1 inhibitor-7 demonstrates significant efficacy in both Galleria mellonella and murine peritonitis infection models.

KWR095 is an orally active inhibitor of WRN, demonstrating an IC50 of 0.032 μM against WRN ATPase. It disrupts the double-stranded helicase activity of WRN and inhibits tumor cell proliferation, exhibiting antitumor properties.

CB30900 is a novel and effective thymidylate synthase inhibitor.

SMCypIC31, a non-peptide cyclophilin inhibitor, blocks PPIase at 0.1 μM IC50 and fights various HCV genotypes (EC50: 1.20-7.76 μM).

HIV-1 inhibitor-44 (compound 11l) is an HIV-1 reverse transcriptase inhibitor that exhibits activity against wild-type HIV-1 strains (EC50: 0.209 μM).

HBV-IN-20 is a potent, orally active HBV inhibitor (EC50: 0.46 μM). HBV-IN-20 is a classical type II CpAM (core protein assembly regulator).

Pol I-IN-1 is a powerful inhibitor of RNA polymerase I (Pol I), specifically targeting the large catalytic subunit RPA194, demonstrating an inhibition

TCMDC-136230 is a novel inhibitor of Plasmodium calcium kinetics with minimal inhibition of haemoglobin crystallisation.

NBD-10007 is an inhibitor of HIV-1 entry.

Cap-dependent endonuclease-IN-5 inhibits CEN and fights influenza with low toxicity and good in vivo properties.

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

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.

Cis-RdRP-IN-5 is an effective inhibitor of the influenza virus RNA-dependent RNA polymerase (RdRP), employed in influenza virus research.

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

CCC-0975 is an inhibitor of hepatitis B virus (HBV) with an EC50 of 10 μM. It interferes with the conversion of relaxed circular DNA (rcDNA) to covalently closed circular DNA (cccDNA) and reduces cccDNA and its precursor deproteinized rcDNA (DP-rcDNA), without promoting their degradation inside cells. CCC-0975 holds potential for chronic hepatitis B research.

HBV-IN-31: strong cccDNA inhibitor, anti-HBV, IC50=0.13 µM HBsAg, hampers cell growth.

Antifungal 42 blocks biofilm formation and inhibits C.albicans' CYP51.

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

Acetomycin, a γ-lactone from S. ramulosus, halts HCT-8 colon and L1210 leukemia cell growth.

SP inhibitor 1 blocks SARS-CoV-2 replication in vitro (0.3250<5.98 μM) and targets SP protein (IC50: 3.26 μM) with antiviral effects.

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

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

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

LasR-IN-3 inhibits LasR in Pseudomonas, disrupting its dimer, causing loss of function.

Cap-dependent endonuclease-IN-2 strongly blocks influenza A virus RNA polymerase; it's a CEN inhibitor.

Bc1 Complex-IN-1 (compound 12g) is a potent inhibitor of the bc1 complex, demonstrating fungicidal properties against cucumber downy mildew (CDM).

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

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.

Compd 3b: anti-trypanosomal, IC50 0.51 μM (NINOA), 3.06 μM (INC-5), also combats T. gondii.

LasR-IN-2 blocks LasR via H-bond with TRY-56, useful in bacterial infection and CF research.

MBX-1162, a bis-indole compound, has demonstrated unique substrate specificity related to MepA and MepR in studies investigating its resistance mechanisms in Staphylococcus aureus. It has not shown cross-resistance with related compounds.

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

9-tert-Butyldoxycycline exhibits immunomodulatory activity by altering the polarization state of polymorphonuclear neutrophils and ameliorating inflammatory responses in ischemia-reperfusion injury models. Additionally, 9-tert-Butyldoxycycline serves as a ligand for the "Tet-On" inducible gene expression system.

(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

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

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.

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

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

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

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.

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.

Antimalarial agent 2 is an orally active, novel antimalarial agent that exhibits rapid in vitro killing effects.

Cilastatin ammonium salt is an antibiotic that is particularly effective against Gram-positive cocci, with a half-life of 3-4 hours.

Cefamandole (lithium), a second-generation broad-spectrum cephalosporin antibiotic, exhibits antimicrobial activity. Upon metabolism in the body, it releases free NMTT, which can lead to hypoprothrombinemia.

Fenbenicillin (Phenbenicillin) potassium is a semi-synthetic penicillin with antibacterial spectrum activity.

Fosmanogepix (APX001) is a broad-spectrum oral antifungal that targets Gwt1 enzyme, transforming into active APX001A in the body.

Antitubercular agent-22 combats Candida albicans (MIC: 2.34 μg/ml) and M. tuberculosis (MIC: 2 μg/ml).

SARS-CoV-2 Mpro-IN-34 (Compound 26) acts as an inhibitor of SARS-CoV-2 Mpro with an IC50 of 6 nM. It also inhibits OC43 Mpro, demonstrating an IC50 of 33 nM. Furthermore, this compound exhibits antiviral activity in Vero E6 cells infected with SARS-CoV-2, with an EC50 of 0.103 μM.

Potent dengue inhibitor NS2B/NS3-IN-2 (IC50: 6 nM, Ki: 0.66 μM) boosts cell viability, non-toxic.

Alpibectir has antibacterial activity [1].

2,5-Di-tert-butyl-1,4-benzoquinone is a potent antibacterial agent found primarily in marine Streptomyces sp. VITVSK1, effective against emerging antibiotic resistance. Additionally, it serves as a powerful inhibitor of RNA polymerase.

ONO-5334: selective cathepsin K inhibitor, potential for osteoporosis study; Ki: 0.10 nM (human), 0.049 nM (rabbit), 0.85 nM (rat).

Antimalarial agent 44 (Compound 3) is an antiparasitic agent effective against malaria. It exhibits good permeability in MDCK-MDR1 cell monolayers and has a high clearance rate in mouse liver microsomes.

PRRSV-IN-1 (Compound 4s) acts as an inhibitor of the nsp4 protease of PRRSV. It has an EC50 value of 0.45 μM against PRRSV, binds to the nsp4 protease with a Kd of 29.24 pM, and exhibits an IC50 value of 80.36 pM for nsp4 protease inhibition. PRRSV-IN-1 is applicable in antiviral infection research.

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.

Eravacycline (TP-434) is a potent and broad-spectrum antibacterial agent.

ATIC-IN-2 (Compound 1) is a competitive inhibitor of the bifunctional enzyme AICAR Tfase/IMPCH (ATIC), binding to inosine monophosphate cyclohydrolase (IMPCH) with a Ki of 0.13 μM.

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.

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

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.

NSC 641396 is a ribonucleotide reductase (RNR) inhibitor with an IC50 value of 1.2 μM. Additionally, it acts as an inhibitor of protein arginine N-methyltransferase 9 (PRMT9) and exhibits antitumor properties.

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.

TAN-1057C is a potent antibiotic with antimicrobial activity against both Gram-negative and Gram-positive bacteria, including Methicillin-resistant Staphylococcus aureus (MRSA).

THU dihydrate, a potent CDA inhibitor, outperforms cytidine by blocking the enzyme's active site.

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

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

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).

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

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.

8-Deazafolic acid inhibits folate-dependent bacteria S. faecium & L. casei, and fights lymphoid leukemia L1210 in mice.

(±)-Tuaimenal A ((+)-1) is a secondary metabolite and a derivative of Sesamol. It exhibits potent inhibitory activity against SARS-CoV-2 3CLpro, with an IC50 of 33.3 μM. (±)-Tuaimenal A is applicable in research related to SARS-CoV-2 infection.