Microbiologia/Virologia

<p>Antifungal agent 100 (compound 3i) demonstrates notable antifungal activity, exhibiting an EC 50 of 0.33 mg/L against S. sclerotiorum. It also possesses an IC 50 value of 0.63 mg/mL targeting the Succinate dehydrogenase (SDH) of the same organism [1].</p>

<p>NIP-22c, a novel inhibitor of coronavirus 3CL pro, exhibits antiviral activity [1]. The compound's EC50 values are 4.6 μM for Verona, 1.1 μM for Calu3, 0.1 μM for Caco2, and 0.6 μM for HBTEC-ALI.</p>

<p>HBV/HDV-IN-3 (Compd 1) acts as a dual inhibitor for HBV and HDV, demonstrating an efficacy (EC 50) below 50 nM against HBV .</p>

<p>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.</p>

<p>HIV-1 Inhibitor-61 (2c) serves as a potent inhibitor of HIV-1 reverse transcriptase, exhibiting an EC50 value of 0.07 nM in NL4-3 wt MT-4 cells [1].</p>

<p>Antibacterial Agent 172 (Compound 6a), a &lt;i&gt;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>

<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>

<p>CMX990, a SARS-CoV-2 3CL protease inhibitor, exhibits EC90 values of 9.6 nM in human bronchial epithelial cells (HBECs) and 101 nM in HeLa-ACE2 cells. It also demonstrates good ADME and pharmacokinetic properties [1].</p>

<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>

<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>

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

<p>SARS-CoV-2-IN-8 is a major protease inhibitor of SARS-CoV-2 (IC50: 0.75 μM).</p>

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

<p>(E)-Cefodizime ((E)-THR-221) is an antibiotic that selectively binds to penicillin-binding proteins (PBPs), inhibiting bacterial cell wall synthesis, which results in its antibacterial activity. It holds potential for research into various bacterial infections, including the prevention of preoperative infections.</p>

<p>SARS-CoV-2 Mpro-IN-44 (Compound 25) is a broad-spectrum inhibitor of the main protease (Mpro) for coronaviruses. It exhibits inhibitory activity against several high-risk coronaviruses, including SARS-CoV-2 and PEDV, with an IC50 of less than 0.6 μM. The broad inhibition of coronaviruses by SARS-CoV-2 Mpro-IN-44 is achieved through enhanced interaction with conserved sites of Mpro. This compound is a potential candidate for the development of antiviral drugs against coronaviruses.</p>

<p>Omaciclovir (ABT-091) is a herpesvirus herpesvirus replication inhibitor with antiviral activity that is used in the study of herpesvirus infections.</p>

<p>CB30900 is a novel and effective thymidylate synthase inhibitor.</p>

<p>Saroaspidin B is a dimeric form of a biphenyl triphenol, characterized as an antibiotic compound.</p>

<p>HIV-1 inhibitor-8: potent oral NNRTI, low toxicity, IC50: 0.081 μM, effective on multiple strains, EC50: 4.44-54.5 nM.</p>

<p>APE1-IN-3 (Compound 1), an APE1 inhibitor, is utilized in cancer research.</p>

<p>Ambelline has antitumor activity.</p>

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

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

<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>

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

<p>Antifungal agent 27 shows moderate action against MRSA, weak against C. albicans, with MICs of 8 μg/mL and 32 μg/mL, respectively.</p>

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

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

<p>Rubropunctatin is a monascus pigment with very potent cancer cell proliferation inhibitory effects.</p>

<p>Saptomycin E is an antitumor antibiotic.</p>

<p>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.</p>

<p>Antifungal agent 39 (Compound 9h) is a broad-spectrum antifungal agent.</p>

<p>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.</p>

<p>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.</p>

<p>HBV-IN-48, an HBV inhibitor, exhibits potent antiviral activity against HBV in HepDE19 cells, demonstrated by its EC 50 value of 0.005 μM. Additionally, it effectively reduces serum HBV DNA levels in mouse models of HBV infection.</p>

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

<p>GSK_WRN4 is a WRN helicase inhibitor with anti-cancer activity, inhibiting MSI tumor cell growth by inducing DNA double-strand breaks, useful in cancer research</p>

<p>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.</p>

<p>GC373, an effective inhibitor of the SARS-CoV-2 M pro, impedes virus replication, exhibiting an inhibition concentration (IC 50) of 0.4 μM. This compound is valuable for use in anti-COVID-19 research.</p>

<p>LN002 is an orally active inhibitor of Cryptosporidium oxidase, utilized for research in cryptosporidiosis.</p>

<p>UNI418 is a dual inhibitor targeting PIKfyve and PIP5K1C, exhibiting antiviral activity against SARS-CoV-2 (EC50=1.4 μM). It inhibits the endocytosis of the virus mediated by ACE2 by suppressing PIP5K1C (IC50=60.1 nM; Kd=61 nM). Additionally, UNI418 impedes the entry of SARS-CoV-2 into host cells by inhibiting the proteolytic activation regulated by PIKfyve (Kd=0.78 nM).</p>

<p>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.</p>

<p>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.</p>

<p>Cefoxazole is a β-lactam antibiotic featuring an isoxazole structure, known for its antibacterial activity. It can be utilized in the study of infectious diseases.</p>

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

<p>HIV-1 inhibitor-18 blocks HIV-1 capsid, effective on NL4-3 strain (EC50: 5.14 μM), slightly toxic (MT-4CC50&gt;9.51).</p>

<p>Polθ-IN-7 (example 12) is an inhibitor of DNA polymerase θ (Polθ) with a Ki of 1.27 nM.</p>

<p>5,6-Dihydro-5-azathymidine exhibits activity against both Gram-positive and Gram-negative bacteria, as well as DNA viruses.</p>

<p>Urease -IN-1 is a urease inhibitor (IC50: 2.21±0.45 μM).</p>

<p>PF-07957472 (Compound 4) is an orally effective inhibitor of the SARS-CoV-2 papain-like protease (PLpro). In NHBE cells infected with SARS-CoV-2, it demonstrated cytopathic effects with an EC50 of 13.9 nM. Additionally, PF-07957472 exhibited antiviral activity in a mouse-adapted COVID-19 infection model.</p>

<p>SARS-CoV-2-IN-97 (Compound CO-01) is an inhibitor of the SARS-CoV-2Nsp15 endoribonuclease, exhibiting an IC50 of 53.5 μM. It demonstrates low cytotoxicity in A549-AT cells with an IC50 value of 134 μM.</p>

<p>SARS-CoV-IN-6 (Compound 17) acts as an inhibitor of SARS-CoV-1 and SARS-CoV-2 RdRp, demonstrating an IC50 value of 7.8 μM against SARS-CoV-2 RdRp. This compound reduces the cytopathic effects of single-round infectious particles (SRIP) infected with SARS-CoV-1 and SARS-CoV-2 replicons and inhibits the expression of SARS-CoVN proteins. The EC50 values for SRIP based on SARS-CoV-1 and SARS-CoV-2 replicons are 0.12 µM and 1.47 µM, respectively.</p>

<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>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>

<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>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].</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>

<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>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].</p>

<p>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>

<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>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>

<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>

<p>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].</p>

<p>8-Deazafolic acid inhibits folate-dependent bacteria S. faecium &amp; L. casei, and fights lymphoid leukemia L1210 in mice.</p>

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

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

<p>Antibacterial agent 88 is an effective antibacterial agent against B. subtilis (MIC: 4 μg/ml) with MIC values of ≤0.0156 μg/mL for MRSA, MRSE and S. aureus.</p>

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

<p>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.</p>

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

<p>KPC-2-IN-2 (6c) inhibits KPC-2 enzyme in Klebsiella pneumoniae (Ki 0.038 μM) and boosts cefotaxime in E. coli KPC-2.</p>

<p>N'-(2-Fluorophenyl)pyrazine-2-carbohydrazide is a Ole1p desaturase inhibitor as well as antifungal agent [1].</p>

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

<p>PqsR-IN-2, potent PqsR inhibitor, curbs Pseudomonas aeruginosa communication, reduces pyocyanin, with low toxicity.</p>

<p>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].</p>

<p>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].</p>

<p>Narlaprevir (SCH 900518) is an HCV NS3 inhibitor with anti-HCV activity, inhibiting SARS-CoV-2, and useful in virus infection research.</p>

<p>PKZ18 is an antibiotic that inhibits bacterial growth with a MIC value of 32-64 μg/mL against most Gram-positive bacteria. It suppresses the in vivo transcription and translation of glycyl-tRNA synthetase mRNA. PKZ18 selectively targets stem I specifier loops in Gram-positive bacteria, directly reducing T-box transcription readthrough of associated genes. It prevents codon-anticodon pairing necessary for tRNA binding and is less likely to induce resistance.</p>

<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>

<p>Furametpyr is a kind of low toxicity pesticides used to control plant diseases caused by various pathogenic microorganisms.</p>

<p>Cyclophilin inhibitor 1: orally available, Kd 5 nM, potent against HCV, EC50 for HCV 2a is 98 nM.</p>

<p>Ceftolozane TFA is a cephalosporin class antibiotic (antibiotic) designed to inhibit Gram-negative bacterial infections. Additionally, it can be utilized in the synthesis of novel antibiotics (antibiotic) that are more efficacious and safer.</p>

<p>DRF-8417 is an oxazolidinone antibiotic, active against both Gram-positive bacteria and fastidious Gram-negative bacteria. The MIC50 and MIC90 values of DRF-8417 for Gram-positive pathogens range between 0.06-1 mg/L.</p>

<p>8-Hydroxyerythromycin A is a semi-synthetic antibiotic with antibacterial activity.</p>

<p>BMT-052 is a potent and selective Pan-genotypic HCV NS5B Polymerase Inhibitor (EC50 = 7 nM).</p>

<p>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].</p>

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

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

<p>MTI013 is a selective inhibitor of SARS-CoV-2 nsp14 Mtase (IC50: 2.98 µM) and an antiviral agent (IC50: 10.33 µM in HCoV-229E infected Huh7 cells). Additionally, MTI013 demonstrates synergistic antiviral effects when used in conjunction with the RdRp inhibitor SHEN26.</p>

<p>MLEB-22043 is a synthetic siderophore-monocyclic β-lactam conjugate which enters bacteria through TonB-dependent transport proteins utilizing its siderophore component, subsequently exerting antibacterial activity via its β-lactam portion. This compound acts as a broad-spectrum antibiotic, exhibiting significant inhibitory activity against pathogens such as Klebsiella pneumoniae, Escherichia coli, Acinetobacter baumannii, and Pseudomonas aeruginosa.</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>

<p>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>

<p>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>

<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>

<p>Antibacterial agent 75 re-sensitizes VRSA to vancomycin.</p>

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

<p>PLP_Snyder530, a potent PL pro inhibitor, halts SARS-CoV-2 by triggering protease conformation changes.</p>

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

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

<p>Beclabuvir blocks HCV NS5B polymerase at thumb site 1, effective on genotypes 1, 3, 4, 5 with IC50 &lt;28 nM.</p>

<p>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.</p>

<p>Anti-MRSA agent 6 (compound 3q6) is a potent anti-methicillin-resistant Staphylococcus aureus (anti-MRSA) agent with low cytoxicity for MCF-7, A549 cells [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>