Microbiologia/Virologia

<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>

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

PCNA-IN-1 (Compound 11) is an inhibitor of the PCNA/PIP-box interaction, with an IC50 greater than 50 μM. It is applicable in cancer research.

<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>

EFdA-TP tetrasodium is a potent HIV-1 inhibitor that blocks DNA synthesis as an ICT or DCT.

SARS-CoV-2-IN-100 (Compound 172) is a broad-spectrum antiviral agent against various SARS-CoV-2 variants. It works synergistically with Nirmatrelvir to reduce the risk of antiviral resistance.

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

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.

BDM91288, an orally active AcrB efflux pump inhibitor of pyridinium piperazine, enhances the in vivo efficacy of levofloxacin in treating Klebsiella pneumoniae pulmonary infection in mouse models [1].

Pyrromycin is a monosaccharide anthracycline which can be used to inhibit cellular RNA synthesis.

<p>WRN inhibitor 7 (Compound h6), a potent inhibitor of Werner syndrome helicase, demonstrates effective suppression of WRN's helicase and ATPase activities with IC50 values of 9.8 μM and 15.8 μM, respectively. This compound is utilized in the study of microsatellite instable (MSI) cancers [1].</p>

GR 122222X is an inhibitor of topoisomerase II.

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

NDM-1 Inhibitor-5 (compound 57) exhibits strong inhibition of NDM-1, characterized by a K i of 2.5 μM. Additionally, it demonstrates synergistic antibacterial effects when combined with meropenem [1].

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.

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.

<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>

Lapyrium chloride (Emcol E 607) is a broad-spectrum antibacterial agent that serves as a preservative and disinfectant.

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.

<p>Erythromycin B exhibits antimalarial activity by effectively inhibiting the asexual growth of Plasmodium falciparum.</p>

<p>AV-5080 is an orally active neuraminidase (neuraminidase) inhibitor that is utilized in the research of both Type A and Type B influenza viruses.</p>

<p>Anti-MRSA agent 19 (Compound 1) is an antibiotic that exhibits activity against Staphylococcus aureus. It is active against 40 clinical isolates from the CDC, representing diverse bacterial species with various resistance factors, including resistance to vancomycin, aminoglycoside/tetracycline, and oxazolidinone (median MIC=4 μg/mL).</p>

Isazofos is a broad-spectrum organophosphate insecticide and nematicide effective in controlling a variety of lawn pests, such as nematodes (Radopholus similis). It also demonstrates efficacy in managing rice gall midge.

<p>VV261 is an orally active inhibitor of the Influenza Virus. It exhibits activity against the Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) and the Lymphocytic Choriomeningitis Virus (LCMV), with EC50 values of 0.89 and 0.15, respectively.</p>

MBL-IN-5 is an inhibitor of metallo-β-lactamase (MBL). It effectively suppresses three clinically significant B1 subfamily MBLs: NDM-1, VIM-1, and IMP-1 with IC50 values of 0.05 nM, 14 nM, and 21 nM respectively. MBL-IN-5 notably enhances the efficacy of carbapenem antibiotics against MBL-producing clinical strains and, when combined with IPM antibiotics, significantly reduces bacterial load in a thigh infection model.

<p>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.</p>

<p>SHEN26 (ATY014) is a potent, orally active RdRp inhibitor with an IC50 of 1.36 μM for SARS-CoV-2. As a 5'-cyclohexanecarboxylate derivative of GS-441524, SHEN26 inhibits viral nucleic acid synthesis, achieving antiviral effects. SHEN26 can be used for COVID-19 research [1] [2].</p>

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.

<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>

Antibacterialagent 278 (compound B1) is an antimicrobial agent that exhibits potent inhibitory activity against Gram-positive bacteria.

Clavicoronic acid, a β-lactamase inhibitor, boosts penicillin antibiotics against resistant bacteria.

<p>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.</p>

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

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

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.

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.

<p>Arterolane, an adenosine triphosphatase inhibitor, is used potentially for the treatment of malaria.</p>

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

Lentiginosine is a selective amyloglucosidase inhibitor.

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

A 76889 is an inhibitor of HIV-1 protease.

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.

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

TBAJ-5307 is a broad-spectrum anti-non-tuberculous mycobacteria inhibitor that targets the FO-domain of the engine, preventing rotation and proton-translocation. TBAJ-5307 inhibits non-tuberculous mycobacteria in vitro and in vivo [1].

<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>

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

GSK 932121: potent antimalarial, targets P. falciparum by inhibiting cytochrome bc1 in the electron transport chain.

Ibafloxacine (R835) is a fluoroquinolone antibiotic that is used exclusively in veterinary applications and shows zero good bacteriostatic effect against

Nikkomycin Z (Nikkomycin Z from Streptomyces tendae) is a competitive chitin synthase inhibitor.It inhibitor of the growth of filamentous fungi, insects,

LasR antagonist 1 (Compound 7), with an IC50 of 0.4 μM, is an effective antagonist of LasR that modulates quorum sensing (QS) in the opportunistic pathogen Pseudomonas aeruginosa [1].

<p>Antibacterial agent 204 (Compd P2-56-3) enhances the activity of Rifampin (RIF) against Acinetobacter baumannii and Klebsiella pneumoniae by disrupting the outer membrane of A. baumannii. T [1].</p>

<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>

Menoctone is an orally effective antimalarial agent that inhibits blood-induced rodent malaria. It enhances the antimalarial effects of chloroquine or quinine, making it useful for malaria research.

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

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

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.

SARS-CoV-2 Mpro-IN-32 (Compound 1) is a selective inhibitor of SARS-CoV-2 MPro with an IC50 value of 230 nM. In vitro, it also inhibits the replication of various SARS-CoV-2 variants.

Insecticidal agent 16 (compound A21) exhibits insecticidal activity against Plutella xylostella, with LC50 values of 1.2 and 13.2 µg/mL respectively.

SARS-CoV-2 Mpro-IN-28 (Compound 1K) is an inhibitor of SARS-CoV-2 Mpro, exhibiting an EC50 of 24 μM.

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

Pneumolysin-IN-1 (compound PB-3), characterized as a targeted small molecule inhibitor of Pneumolysin (PLY) with an IC50 value of 3.1 µM, acts as a pore-blocking agent and an anti-virulence factor. This compound is useful for researching infections caused by Streptococcus pneumoniae [1].

Neuraminidase-IN-18 (compound N5), a novel polyheterocyclic neuraminidase (NA) inhibitor, demonstrates significant inhibitory activity against H5N1 NA, with an IC 50 of 0.14 μM against the wild-type H5N1 NA and 0.27 μM against the H5N1-H274Y mutant NA. This compound effectively binds to NAs, inhibiting influenza virus replication at the cellular level [1].

<p>N-Cbz-L-Cysteine (Cbz-cysteine) (compound 5) functions as a potent inhibitor of β-lactamase II, exhibiting a K i value of 97 µM [1].</p>

<p>Uridine 3′,5′-diphosphate (3′,5′-UDP; Compound pUp) serves as a competitive RNase inhibitor [1].</p>

SARS-CoV-2-IN-80 (compound 13), identified as a potent inhibitor of SARS-CoV-2 3CLpro, exhibits an IC50 value of 0.964 µM [1].

HC2210 exhibits antibacterial effects against Mycobacterium abscessus (Mab) with an EC50 of 0.72 µM. It modulates the expression of Mab genes associated with oxidative stress and lipid metabolism. HC2210 is applicable for studies on Mab infections.

<p>MA220607 is an antibacterial agent characterized by low hemolytic toxicity and a dual-target mechanism of action (MOA). It promotes FtsZ protein polymerization, increases bacterial membrane permeability, and inhibits biofilm formation. The resistance rate of MA220607 is low, with MICs against Gram-positive bacteria and Gram-negative bacteria ranging from 0.062-2 μg/mL and 0.5-4 μg/mL, respectively [1].</p>

DPC 684 is a potent and selective HIV-1 protease inhibitor with an IC90 of 5.7-40 nM and a Ki of 0.021 nM. It competitively inhibits HIV-1 protease, preventing viral polyprotein cleavage. Compared to cellular proteases, DPC 684 shows high selectivity for retroviral proteases. The compound exhibits low protein binding and offers broad-spectrum inhibition against various wild-type and mutant HIV-1 proteases, with an IC90 of 1.9-6.3 nM. DPC 684 is significant for HIV research.

Ambelline has antitumor activity.

<p>2'-Amino-2'-deoxyadenosine (9-(2-Amino-2-deoxypentofuranosyl)-9H-purin-6-amine) is a nucleoside antibiotic that effectively inhibits various Mycoplasma strains.</p>

<p>PolQi1 is a highly efficient and selective Polϴ (DNA polymerase theta) inhibitor with an IC50 of 2 nM, showing potential for cancer therapy.</p>

MetRS-IN-1 (Compound 27) is an inhibitor of E. coli methionyl-tRNA synthetase (MetRS) with an IC50 value of 237 nM [1].

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

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.

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

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

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.

<p>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.</p>

<p>DHX9-IN-9 (509) acts as an inhibitor of the RNA helicase DHX9, demonstrating an EC50 of 0.0177 μM in DHX9 cellular target engagement, primarily utilized in cancer research [1].</p>

<p>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.</p>

RMG8-8 shows the excellent efficacy against C. neoformans (1.56 μg/mL).

MB076 is an innovative heterocyclic triazole designed with enhanced plasma stability. It effectively inhibits seven distinct Class C Acinetobacter-derived cephalosporinases (ADCs) β-lactamase variants with K i values less than 1 μM. Additionally, MB076 demonstrates a synergistic effect when combined with various cephalosporins to restore pBCSK(−) susceptibility [1].

<p>GRL-190-21 (compound 5e), an inhibitor of SARS-Cov-2-Mpro, shows potent antiviral activity, with a K_i of 0.04 nM and an EC_50 of 0.26 μM in VeroE6 cells. It significantly reduces the infectivity, replication, and cytopathic effect of SARS-CoV-2 without notable toxicity [1].</p>

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.

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.

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.

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

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

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

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

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.

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

<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>

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

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

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

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

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.