Microbiologia/Virologia

AN-12-H5 is an anti-enteroviral compound that targets the replication process of PV and EV71 viruses.

<p>Antifungal agent 11 has a good antifungal effect.</p>

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

G092 is a potent inhibitor of MsbA. MsbA is an ABC transporter protein. G092 has potential for antibacterial drug research.

<p>Antifungal agent 43 inhibits biofilms with low toxicity to human cancer cells.</p>

<p>Valopicitabine is an effective prodrug of the effective anti-HCV drug 2'-C-methylcytidine and can be used as a promising antiviral drug for the study of chronic</p>

<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>

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).

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

RAD51-IN-7 inhibits RAD51 gene, with potential for mitochondrial disorders. (From WO2021164746A1, cmpd 71)

<p>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.</p>

Compound 112: Powerful antibacterial, MIC 1250 μM against B. subtilis, E. coli, E. faecalis, S. typhimurium, S. aureus; also an HIV-1 antibody.

Polθ-IN-5 (Compound 139) is an inhibitor of DNA polymerase theta (Polθ) that exhibits antitumor activity.

SARS-CoV-2 Mpro-IN-31 (Compound 18) is an inhibitor of SARS-CoV-2 MPro with an IC50 of 11 nM. Additionally, this compound effectively inhibits the enzymatic activity of the cysteine proteases cathepsin B and cathepsin L, with IC50 values of 24 nM and 1.8 nM, respectively.

<p>Doxazosin impurity 12 acts as an inhibitor of CTX-M β-lactamase (Beta-lactamase) with a Ki value of 0.7 mM against CTX-M.</p>

Kalafungin inhibits various fungi, yeasts, protozoa, and gram-positive bacteria, less so for gram-negative bacteria.

<p>2-CEES is a mustard gas analogue that only forms DNA monoadducts. It induces centromere amplification in both human and mouse cells and can lead to chromosome instability.</p>

Antitumor agent-75 is a novel and potent antitumor agent.

<p>L 702007 is an inhibitor of HIV-1 reverse transcriptase.</p>

Anti-ToCV agent 1 can be used as a potential anti-ToCV drug.

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

(±)-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.

Pyriofenone (IKF-309) is an aryl phenyl ketone fungicide predominantly used to control powdery mildew on crops such as cereals, rice, fruit trees, and vegetables. It exhibits moderate efficacy against rice blast disease. Pyriofenone functions through prevention, residue activity, treatment, rainfastness, translaminar action, and fumigation.

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

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.

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.

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).

<p>VNI is an effective inhibitor of CYP51. It suppresses sterol synthesis in Trypanosoma cruzi, exhibiting anti-Trypanosoma cruzi activity.</p>

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

(-)-15-Deoxyspergualin is a potent antitumor agent that demonstrates significant inhibition against mouse leukemia L-1210.

<p>PfCLK3-IN-1 (Compound 4) serves as a covalent inhibitor of the malaria parasite CLK3 (Pf CLK3) under alkaline conditions, with a pEC50 of 7.1. It inhibits the maturation of gametocytes during the sexual stage of the parasite, thereby hindering transmission. Additionally, PfCLK3-IN-1 effectively suppresses the Dd2-B2 clone of the malaria parasite, exhibiting an IC50 of 239.5 nM.</p>

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.

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.

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

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.

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.

A 76889 is an inhibitor of HIV-1 protease.

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).

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.

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.

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

<p>CTSL/CAPN1-IN-2 (Compound 14b) serves as an orally active inhibitor targeting both CTSL and CAPN1, manifesting IC50 values of 6.88 nM for CTSL and 347.6 nM for CAPN1 respectively. This compound not only displays anti-inflammatory attributes but also features favorable pharmacokinetic properties. Moreover, CTSL/CAPN1-IN-2 shows extensive antiviral effects against coronaviruses by inhibiting viral entry [1].</p>

Hyalodendrin ((+)-Hyalodendrin) acts as a fungal growth inhibitor, specifically targeting wood decay fungi. It exhibits low phytotoxicity and possesses an acute toxicity (LD50) level of 75 mg/kg in mice.

<p>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].</p>

Antibacterial Agent 172 (Compound 6a), a <i>Clostridioides difficile (Cd) SpoVD inhibitor with an IC50 value of 89 nM, effectively inhibits the sporulation of Clostridioides difficile. It is useful for research on bacterial infections [1].

<p>Compound 174 (Compound 5g), an antibacterial agent, exhibits potent anti-infective properties in vivo along with appreciable pharmacokinetic profiles. This highly active substance demonstrates favorable biofilm removal capabilities, low hemolysis, and acceptable mammalian cell toxicity [1].</p>

BPR3P0128, a non-nucleoside RNA-dependent RNA polymerase (RdRp) inhibitor, is effective orally and can inhibit various SARS-CoV-2 variants. It exhibits EC 50 values of 0.62 µM for SARS-CoV-2 and 0.14 µM for HCoV-229E, demonstrating potent anti-pancoronavirus activity at submicromolar concentrations. Additionally, BPR3P0128 displays synergistic antiviral effects when used in combination with Remdesivir [1].

<p>InhA-IN-7 (Compound 11), a derivative of Triclocan, shows inhibitory activity against enoyl-acyl carrier protein reductase (InhA) with an IC50 of 96 nM. It effectively inhibits the proliferation of both wildtype and mutant strains of Mycobacterium tuberculosis, exhibiting minimum inhibitory concentrations (MICs) ranging from 19 to 75 μM [1].</p>

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

JPL is an InhA-cofactor-ligand 3FNG inhibitor and is used for the study of tuberculosis [1].

<p>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.</p>

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

L-2'-Fd4C is an L-nucleoside analogue with both anti-human immunodeficiency virus (HIV) and anti-hepatitis B virus (HBV) activity [1].

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

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

<p>Bersiporocin is a novel prolyl-tRNA synthetase (PRS) inhibitor that exerts antifibrotic effects through downregulation of collagen synthesis in IPF.</p>

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

<p>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.</p>

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

RAD51-IN-6, a potent RAD51 gene inhibitor, may help research mitochondrial disorders. (WO2021164746A1, cmpd 23)

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

<p>20S Proteasome-IN-4: brain-penetrant, parasite-specific, oral, inhibits T.b. brucei proteasome (IC50: 6.3nM), for HAT research.</p>

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

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

BRD-4592 is an allosteric inhibitor targeting tryptophan synthase (TrpAB) of Mycobacterium tuberculosis. It binds at the α-β subunit interface of TrpAB, with an IC50 of 70.9 nM for the α subunit and 22.6 nM for the β subunit.

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.

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

Chitin synthase inhibitor 8 is a chitin synthase (CHS) inhibitor with broad-spectrum antifungal effects that can be used in studies related to fungal infections

<p>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.</p>

<p>HBV-IN19 TFA suppresses HBsAg, hampers HBV infection, and aids in HBV research.</p>

<p>Quorum sensing-IN-9 (Compound 7d) inhibits quorum sensing in Pseudomonas aeruginosa by binding to the PqsR protein. It suppresses the expression of quorum sensing system-related genes lasB, rhlA, and pqsA, thereby preventing the production of virulence factors elastase, pyocyanin, and rhamnolipid. Quorum sensing-IN-9 disrupts the motility of P. aeruginosa, inhibits biofilm formation, and reduces the bacterium's virulence and pathogenicity. Additionally, it exhibits anti-infective activity in the Galleria mellonella larval model.</p>

Pibrozelesin, a water-soluble duocarmycin B2 derivative, binds AT-rich DNA, blocking replication and inducing cell death.

<p>Antimicrobial agent-38 (compound 10) effectively inhibits methicillin-resistant Staphylococcus aureus (S. aureus) strain ATCC 700699 and non-resistant strain ATCC 29213, with minimum inhibitory concentrations (MIC) of 32 mg/L and 64 mg/L, respectively.</p>

Mpro inhibitor blocks MHV-A29, HCoV-229E, FOPV (IC50: 2.7–8.8 μM), and SARS-CoV-2 (IC50: 16.8 μM) in plaque assays.

<p>N6-Benzoyl-2'-deoxyadenosine monohydrate is a nucleoside analogue that helps diagnose bacterial infections by binding to double-stranded DNA and altering its structure, which can subsequently be detected using electrophoresis.</p>

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.

HBV-IN-12: strong HBsAg & HBV DNA inhibitor; EC50 0.001-0.05 μM & 0.001-0.02 μM respectively. (WO2021204252A1)

Glutamate-5-kinase-IN-1 is a potent G5K inhibitor with a 4.1 μM MIC, showing promise in anti-TB research.

<p>BRN3OMe is an effective inhibitor of HIV-1 reverse transcriptase (HIV-1 reverse transcriptase), showing potential for antiviral drug research.</p>

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

<p>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.</p>

Beclabuvir blocks HCV NS5B polymerase at thumb site 1, effective on genotypes 1, 3, 4, 5 with IC50 <28 nM.

<p>YKL-04-085 inhibits viral translation effectively, with strong antiviral action at much lower doses than those affecting host-cell growth.</p>

NBTIs-IN-4, a broad-spectrum Gram-positive antibacterial, inhibits DNA rotamases/topoisomerase IV, with low resistance.

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.

<p>Enpatoran hydrochloride (M5049 hydrochloride) is a TLR7/8 inhibitor with antiviral activity that is used in the study of autoimmune diseases.</p>

<p>RdRP-IN-5 (compound 20), a potent inhibitor of the influenza virus RNA-dependent RNA polymerase (RdRP), has potential application in influenza research [1].</p>

<p>Tigemonam is a monobactam, a novel orally administered monobactam that protects against gram-negative aerobic bacterial pathogens. Cost-effective and quality-assured.</p>

<p>LeuRS-IN-1 hydrochloride is a Mycobacterium tuberculosis leucyl-tRNA synthetase inhibitor with antileukemic activity and antimalarial activity.</p>

<p>D75-4590, a β-1,6-Glucan synthetase inhibitor, combats fungal infections by targeting cell walls.</p>

<p>Eravacycline dihydrochloride (TP-434-046) is a potent and broad-spectrum antibacterial agent against six E. coli (MICs: 0.125-0.25 mg/L).</p>

<p>CCF0058981: noncovalent inhibitor for SARS-CoV-2 &amp; -1 proteases; IC50s: 68 nM (SC2) &amp; 19 nM (SC1). Potential COVID-19 research use.</p>

IDX184 is a potent, orally active, targeted HCV polymerase inhibitor and nucleoside polymerase.IDX184 effectively inhibits HCV polymerase (IC50=0.31 μM, Ki=52.3

Vaniprevir is a competitive HCV NS3/4A protease inhibitor, an antiviral(hepatitis C virus) drug that acts directly and blocks the viral replication process.

JTK-109 is an inhibitor of hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor and inhibits G1b and G3a subgenomic replicons and recombinant enzymes.

CTPS1-IN-1 is a cytidine-5′ triphosphate synthase 1 (CTPS1) inhibitor with potential antitumor activity and can be used to study autoimmune diseases.

Rupintrivirvr (AG7088) is a mimetic peptide inhibitor of rhinovirus (HRV) 3C cysteine protease with antiviral activity for the study of viral infections.

Cap-dependent endonuclease-IN-1: potent, oral inhibitor with antiviral properties against influenza.

HRO761 is a potent Werne r syndrome RecQ DNA deconjugase (WRN) inhibitor that can be used to study cancers such as colon and stomach cancer.

SR 11302 is an inhibitor of activator protein-1 (AP-1).

Durlobactam sodium salt (ETX2514) have an IC50 values of 4, 14 and 190 nM against class A KPC-2, class C AmpC and class D OXA-24.Cost-effective and quality-assured.

FGI-106 tetrahydrochloride demonstrates potent inhibitory activity across a broad spectrum of viruses, including those causing hemorrhagic fevers such as Ebola

Haloxon is an organophosphorus anthelmintic. Haloxon is used against nematodes of the abomasum and small intestine in ruminants.

L-Eflornithine is an irreversible ornithine decarboxylase (ODC) inhibitor with a KD of 1.3±0.3 µM, and a Kinact of 0.15±0.03 min-1. L-Eflornithine monohydrochloride (L-DFMO monohydrochloride) is an enantiomer of Eflornithine.

Reutericyclin is a unique tetramic acid, is an antibiotic produced by some strains of Lactobacillus reuteri.