Microbiologie/Virologie

<p>2-Acetyl-2-decarboxamidotetracycline is a tetracycline-class antibiotic. It exhibits a UV absorption spectrum similar to that of tetracycline or 5-oxytetracycline at concentrations above 300 mμ, characteristic of the BCD ring system.</p>

Etofamide, an antimicrobial agent, exhibits an IC50 of 5.96 mg/L against amoebae.

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

D-CS319 is a potent inhibitor of metal-𝛽-lactamases (MBLs), exhibiting IC50 values of 2.0 μM for IMP-1 and 3.0 μM for IMP-78. RPX 7546 possesses antibacterial activity.

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

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

FG-2101 is a selective, orally active non-hydroxamate LpxC inhibitor with an IC50 of approximately 1 nM. It demonstrates exceptional selectivity over other bacterial and human metalloproteases. FG-2101 is useful for studying infections caused by Gram-negative bacteria, including resistant strains.

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.

Saptomycin E is an antitumor antibiotic.

HBV-IN-11 is a potent inhibitor of HBsAg secretion (EC50: 0.46 μM).

Neocryptolepine-Cl (compound Z24) is an inhibitor of Bcthi4, demonstrating excellent antifungal activity against B. cinerea, with an EC50 value of 0.56 μg/mL.

Methyl piperazine-2-carboxylate (compound 4) is a potent activator of METTL3/METTL14/WTAP. It enhances the production of HIV-1p24 viral particles and increases the level of N6-methyladenosine in the viral RNA genome.

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.

PLpro-IN-5 (compound 21), serving as a PLPro protease inhibitor, boasts an IC50 of 91.14 nM. This compound exhibits a broad-spectrum antivirus efficacy, particularly effective against SARS-CoV, MERS-CoV, and SARS-CoV-2.

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

Pyriftalid is a novel insecticide known for its potent inhibitory activity against a variety of pests. It is widely utilized in agriculture to effectively manage crop pests, thereby enhancing both the yield and quality of crops. Additionally, research is exploring the use of Pyriftalid in boosting plant resistance to pests and diseases.

HIV-1-IN-86 (compound 6m) is an HIV-1 inhibitor with an EC50 of 0.77 μM, exhibiting antiviral activity.

HIV-1 inhibitor-18 blocks HIV-1 capsid, acts on NL4-3 strain (EC50: 2.57 μM), has low cytotoxicity (MT-4 CC50: >8.55).

RCB18350 is an antituberculosis agent and an isoxazole derivative. It demonstrates bacteriostatic properties by inhibiting the growth of Mycobacterium tuberculosis, with a minimum inhibitory concentration (MIC) of 1.25 μg/mL. RCB18350 is effective against multi-drug resistant Mycobacterium tuberculosis (MDR-TB) clinical isolates, Mycobacterium bovis BCG, and Mycobacterium avium, all of which are slow-growing mycobacteria.

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

Antibacterial agent 68 targets drug-resistant E. coli at 0.007 mM with low cytotoxicity.

Kikumycin A, an antibiotic produced by Streptomyces, exhibits antimicrobial activity against both Gram-positive and Gram-negative bacteria. Additionally, it demonstrates antitrichomonal activity with a minimum inhibitory concentration (MIC) of 25 μg/mL against Trichomonas foetus.

TLR8 agonist 4 inhibits wild-type and lamivudine/entecavir-resistant HBV; IC50: 0.15 μM and 0.10 μM.

Ambelline has antitumor activity.

GR 122222X is an inhibitor of topoisomerase II.

Cefempidone (GR 50692) is a third-generation cephalosporin antibiotic. It exhibits antibacterial activity by inhibiting penicillin-binding proteins involved in the synthesis of bacterial cell walls.

7-APRA is a semisynthetic intermediate of the cephalosporin class of antibiotics. It exhibits antibacterial activity and is primarily used in the synthesis of other cephalosporin antibiotics, such as Cefaclor and Cefprozil.

GTSE1-IN-1 (compound Y18), an orally active GTSE1 inhibitor, exhibits notable anticancer properties. It effectively represses the proliferation of cancer cells by downregulating GTSE1 transcription and expression, which leads to DNA damage and promotes persistent cell cycle arrest and cellular senescence. Moreover, GTSE1-IN-1 substantially reduces the adhesion, migration, and invasion of colorectal cancer HCT116 cells and non-small cell lung cancer A549 cells in vitro.

Griseofulvic Acid ((±)-Griseofulvic acid) is a metabolite of the antifungal agent Griseofulvin. It induces protein aggregation and tubulin polymerization in cell-free assays.

MK-8876 is an Inhibitor of HCV NS5B Site D.

GC-78-HCl is an orally active, non-peptidic SARS-CoV-2 Mpro inhibitor with an enzyme IC50 of 0.19 μM. It exhibits strong anti-coronavirus activity and favorable pharmacokinetic properties.

Antibiofilm agent-4 is a LasR inhibitor, demonstrating optimal antibiofilm and anti-QS (quorum sensing) properties.

Imidocarb dihydrochloride monohydrate is an effective antiprotozoal agent against the parasite B. bovis (IC50: 87 μg/ml).

Artefenomel (OZ439) is an orally active anti-malarial ozone analog with antiviral activity for the study of SARS-CoV-2 infections and malaria infections.

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.

PLpro-IN-6 (compound 6) serves as an inhibitor for the papain-like protease (PLpro), demonstrating potent activity with an IC 50 of 0.019 μM against the SARS-CoV-2 PLpro enzyme.

SPR7 is a potent and selective rhodesain inhibitor (Ki: 0.51 nM). SPR7 exhibited antiparasitic effects against T. b. brucei (EC50: 1.65 μM).

Potent oral HCV inhibitor HCV-IN-38 has 15 nM EC50, 431 SI, high efficacy, and low toxicity.

Urease-IN-2 is a non-competitive inhibitor of urease (IC50: 0.94 μM, Ki: 1.6 μM) that non-competitively inhibits Jack bean urease (JBU).

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.

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

17,17-Ethylendioxyandrost-5-en-3β-ol, with an EC 50 of 629 μM, acts as an inhibitor of HSV-1. This compound is applicable in research studies focusing on viral infections.

(4-Aminobenzoyl)-D-glutamic acid (Compound 17) exhibits competitive inhibitory activity against the H2-pterin synthesis system, affecting folic acid synthesis and subsequently inhibiting bacterial growth.

Polθ-IN-6 (Compound 89) is an inhibitor of DNA polymerase theta (Polθ) and exhibits antitumor activity.

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

ZINC000104379474 is a compound that targets SARS-CoV-2 endoribonuclease.

HBV-IN19 TFA suppresses HBsAg, hampers HBV infection, and aids in HBV research.

Fipravirimat is a potent inhibitor of HIV-1 with potential applications in HIV and AIDS research.

Enzyme-IN-3 disodium (compound 7) is a selective inhibitor of Mycobacterium tuberculosis shikimate kinase with an IC50 of 1.6 μM. Additionally, Enzyme-IN-3 disodium exhibits antibacterial properties.

ART615 is a related isomer of ART558. ART615 inhibits Polθ by <10% at 12 μM and is able to act as a control for ART558 (IC50:7.9 nM).

RhlR antagonist 1: IC50 of 26 μM, selective for RhlR, inhibits P. aeruginosa biofilm and virulence factors.

PptT-IN-3 (5p), an inhibitor of PptT in Mycobacterium tuberculosis, IC50=3.5μM, is key for TB research.

Antibacterialagent 261 (compound 43) is a potent inhibitor of the peptide deformylase (PDF) enzyme, demonstrating IC50 values of 2.5 nM against Staphylococcus aureus (S. aureus) and 10.6 nM against Escherichia coli (E. coli).

HT1171 is a potent and selective inhibitor of the Mycobacterium tuberculosis proteasome. It exhibits strong antitubercular activity against Mycobacterium tuberculosis H37Rv, with a MIC90 of 2 μg/mL and MIC of 4 μg/mL. At a concentration of 100 μM, HT1171 shows an inhibition rate of 53.8% against normal human liver cells (L02). HT1171 is applicable in antituberculosis drug research.

HIV-1 inhibitor-14: potent, broad HIV-1 RT inhibitor. IC50=0.14μM. Effective against wild-type and resistant strains, EC50=5.79-28.3nM.

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.

Metallo-β-lactamase-IN-14 (Compound 17e) serves as an inhibitor of Metallo-β-Lactamase, displaying inhibitory activity against VIM-1 and VIM-2. This compound also exhibits antibacterial effects on Gram-negative (GN) bacteria and P. aeruginosa [1].

KL-50, a selective toxin, effectively targets tumors deficient in the DNA repair protein O6-methylguanine-DNA-methyltransferase (MGMT), which corrects O6-alkylguanine lesions. This compound induces both DNA damage response pathways and cell cycle arrest in MGMT-deficient cells, regardless of mismatch repair (MMR) status. KL-50 shows promise in the study of brain tumors lacking MGMT.

SAG-524 is a powerful oral small molecule that inhibits HBV viral replication. In HepG2.2.15 cells, SAG-524 reduced HBV-DNA and HbsAg levels in the supernatant with IC₅₀ values of 0.92 nM and 1.4 nM, respectively [1].

Antimicrobial Agent-29 (Compound C35) influences the interaction between human hemoglobin and the Staphylococcus aureus IsdB hemophore. This compound facilitates the identification of IsdB:Hb PPI inhibitors [1].

Metallo-β-lactamase-IN-13 (Compound 13i) serves as a pan Metallo-β-Lactamase inhibitor with extended activity against Gram-negative (GN) bacteria expressing metallo-β-lactamases. It exhibits antibacterial properties effective against P. aeruginosa [1].

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

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

<p>HKI12134085 (compound 3), an orally administered nitrobenzothiazinone (BTZ) derivative, demonstrates antibacterial efficacy against Mycobacterium tuberculosis. This compound exhibits significant in vivo inhibitory potency within a BALB/c mouse model of Mycobacterium tuberculosis infection [1].</p>

Lavendomycin can be extracted from Streptomyces lavendulae and has active against Gram-positive bacteria.

Cap-dependent endonuclease-IN-10, with low toxicity & good stability, effectively inhibits flu viruses and shows promise against A, B, C types.

<p>MDL-860 is a broad-spectrum antiviral compound targeting small RNA viruses and exhibits low cytotoxicity to human cells. MDL-860 is useful for research into viral infections.</p>

3'-NH-Tr-2',3'-DMF-ddA-5'-CE-Phosphoramidite serves as a precursor of adenosine nucleotide monomers used in the solid-phase synthesis of oligonucleotides, particularly for modifying oligonucleotides such as terminally modified DNA strands. It features Trityl (Tr), Cyanoethyl (CE), and Dimethylformamidine (DMF) protective groups, classifying it as a ddNTP adenosine nucleoside suitable for applications like oligonucleotide solid-phase synthesis, probe design, and chain termination sequencing.

WQ3810 TFA is an orally available fluoroquinolone with antimicrobial activity against Mycobacterium tuberculosis and inhibits the DNA rotamase activity of

5-Methylcytosine hydrochloride plays a critical role in regulating gene expression, promoting genomic imprinting, and inhibiting transposon factors. It is also closely associated with translation fidelity and tRNA recognition.

Faldaprevir sodium: HCV treatment, inhibits NS3/NS4A protease, P-glycoprotein, CYP3A4, UGT1A1.

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.

Cetefloxacin (E 4868) is a broad-spectrum antibacterial antibiotic with a minimum inhibitory concentration (MIC) ranging from 0.007 to 8 µg/ml. In mice, cetefloxacin demonstrates favorable pharmacokinetic properties and provides protection against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Streptococcus pneumoniae.

Gallinamide A is a potent inhibitor of cathepsin L with an IC 50 value of 17.6 pM.

Gougerotin is an inhibitor of protein synthesis.

Rubropunctatin is a monascus pigment with very potent cancer cell proliferation inhibitory effects.

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

DENV-IN-6, a potent anti-DENV (I-IV) and HIV-1 IIIB inhibitor with EC50 ranging 6.8-17.5 μM for DENV and EC50 0.0181 μM for HIV-1.

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

Pks13-TE inhibitor 4 (compound 44) is a potent inhibitor from the thiazole series that effectively targets Pks13 to combat tuberculosis (TB) and addresses drug resistance.

Eprociclovir Na (A-5021) is 15x stronger than acyclovir at inhibiting herpesviruses, showing promise for EHV1 and herpetic keratitis treatment.

Elongation factor P-IN-2, a β-lysine derivative, is a potent EFP inhibitor reducing E. coli growth.

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.

Apalcillin (PC-904) combined with Ro 48-1220 (a penicillin sulfone β-lactamase inhibitor) exhibits broad-spectrum activity against Gram-negative aerobic and anaerobic bacteria, excluding Klebsiella acid-producing strains. This combination shows strong efficacy against β-lactamase-producing Moraxella catarrhalis, Haemophilus influenzae, and Neisseria gonorrhoeae with an effective MIC of 11 μg/mL. Additionally, it inhibits Pseudomonas aeruginosa, Stenotrophomonas maltophilia, and Acinetobacter at low MICs (0.25 to 4 μg/mL). However, it has limited efficacy against oxacillin-resistant staphylococci and some Gram-positive bacteria. Apalcillin/Ro 48-1220's effectiveness against certain extended-spectrum β-lactamase-producing Escherichia coli is comparable to piperacillin/tazobactam, though it is less effective against SHV-type β-lactamases.

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.

Lentiginosine is a selective amyloglucosidase inhibitor.

PCTR1, derived from DHA, hastens inflammation resolution and boosts macrophage function, reducing PGE2, PGD2, and TXB2 in mice.

HBV-IN-18 (Compound 3) is an HBV capsid assembly modulator (CpAM) (EC50: 2790 nM).

(S)-Batylalcohol (1-O-Octadecyl-sn-glycerol) is an analogue of phosphonoformic acid (PFA) and demonstrates higher in vitro antiviral activity against human immunodeficiency virus type 1 (HIV-1) compared to PFA. This compound is applicable in antiretroviral research.

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).

DHFS-IN-1 (Compound 3) is an inhibitor of dihydrofolate synthetase (DHFS) with an IC50 of 2.6 μM. It is applicable for research into infectious diseases related to bacterial folate synthesis.

Thiolactomycin is a novel reversible dual inhibitor of D-amino acid oxidase (DAO) and D-Aspartate oxidase (DDO).

Ipronidazole (RO-71554) is an orally effective antiprotozoal agent used to prevent and ameliorate histomoniasis in turkeys, commonly referred to as blackhead disease.

Cap-dependent endonuclease-IN-7, a potent CEN inhibitor, blocks viral mRNA synthesis and virus spread, with research use for influenza A, B, C.

WRN inhibitor 12 (compound 5) serves as an inhibitor for the WRN helicase.

Gln-AMS (TFA) is a type Ia amido-tRNA synthetase (AARS) inhibitor with a Ki value of 1.32 μM for glutaminyl-tRNA synthetase.

Benzohydroxamic acid (BHA) is a chitin deacetylase (CDA) inhibitor with notable antifungal properties. It displays Ki values of 8.31 μM against Verticillium dahliae CDA and 9.83 μM against Puccinia striiformis f. sp. tritici CDA. BHA can restore the defense responses in infected host plants by upregulating the expression of defense-related genes, thereby reducing fungal growth and proliferation within the plants. It is applicable in the research of agricultural fungal diseases, such as cotton wilt and wheat stripe rust, caused by pathogens like Verticillium dahliae and Puccinia striiformis.

3′-Amino-2′,3′-dideoxy-CTP is an analog of nucleoside triphosphates. It selectively inhibits DNA polymerase β.

RdRP-IN-4, an oral arylbenzohydrazide, inhibits influenza A/B by targeting PB1 of RdRP, with EC50s of 53 nM (H1N1) and 20 nM (Flu B), and aids infected mice.

Mer-NF5003F (Stachybotrydial; F 1839M) is a sesquiterpene isolated from Stachybotrys, effective in inhibiting avian myeloblastosis virus (AMV) protease with an IC50 of 7.8 μM. It also inhibits sialyltransferases ST6N, ST3O, and ST3N with IC50 values of 0.61, 6.7, and 10 μg/mL, respectively, and fucosyltransferase with an IC50 of 11.3 μg/mL. Additionally, Mer-NF5003F exhibits in vitro activity against herpes simplex virus HSV-1 (IC50=4.32 μg/mL) and multi-drug-resistant Plasmodium falciparum K1 strain (IC50=0.85 μg/mL).

PIQ-2 (compound 54) serves as an antiprotozoal agent, displaying potent activity against IP. falciparum 3D7 and B. divergens Rouen, with IC50 values of 9.4 nM and 1.6 nM, respectively.

<p>AK-968-11563024 is an inhibitor targeting marine V. vulnificus NAT [(VIBVN)NAT] with an IC50 value of 18.86 µM. In V. vulnificus, NAT (aromatic amine N-acetyltransferase) plays a role in drug metabolism, contributing to drug resistance. Thus, AK-968-11563024 can be used for research related to drug tolerance.</p>

<p>Zorubicin, a Daunorubicin derivative, targets topoisomerase II, inhibits DNA polymerase, and researches acute leukemia, sarcomas.</p>