Microbiologia/Virologia

<p>TREX1-IN-3 (Compound 95) is an inhibitor of TREX1 and TREX2, with an IC50 of less than 0.1 μM for TREX1 and less than 1 μM for TREX2, as well as an EC50 of less than 1 μM for HCT116 cells. It is applicable for research in the field of cancer.</p>

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

<p>HPH-15 is an anti-cell migration compound that inhibits cell movement by binding to hnRNP U or suppressing TGF-β. Additionally, it prevents epithelial-to-mesenchymal transition (EMT). HPH-15 holds potential for research in areas such as anti-tumor metastasis and anti-fibrosis.</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>SPB07935 inhibits plasmepsin II in the malaria-causing parasite Plasmodium falciparum and serves as an antimalarial agent. It affects the life cycle of P. falciparum, hindering the growth of the parasite's FcB1 and 3D7 strains, with IC50 values of 8 μM and 4.7 μM, respectively.</p>

<p>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.</p>

<p>Trans-Clopenthixol ((E)-Clopenthixol) is an antibiotic without any sedative properties. It can be used in vitro to inhibit Pseudomonas aeruginosa and Plasmodium falciparum.</p>

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

<p>Anthelvencin A is a pyrrolylamide metabolite with moderate antibacterial and anthelmintic activity.</p>

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

<p>Compound 11i: potent, non-toxic anti-tuberculosis biphenyl analogue.</p>

<p>NS2B/NS3-IN-3 (Compd 66) is an inhibitor of Flavivirus NS2B-NS3 protease [1] .</p>

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

<p>SARS 3CLpro-IN-1: stereospecific SARS 3CL protease inhibitor, octahydroisochromene class, IC50 = 95 μM.</p>

<p>NNRT-IN-5 (compound 10d) is an orally available non-nucleoside reverse transcriptase (Reverse Transcriptase) inhibitor.</p>

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

<p>Antifungal agent 17 showed good antifungal activity against B. cinerea (EC50: 2.86 μg/mL).</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>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.</p>

<p>PLpro-IN-7 (compound 83) is a novel papain-like protease (PLpro) inhibitor with an IC50 of 3 nM.</p>

<p>ZINC4497834 is an inhibitor of the main protease Mpro of SARS-CoV-2. It is utilized in research targeting the treatment of COVID-19.</p>

<p>MED6-189, an analog of kalihinol, disrupts the apicoplast functions and vesicular transport in the malignant malaria parasite (P. falciparum, IC50 &lt; 50 nM). The compound specifically targets the apicoplast, which is a non-photosynthetic plastid essential for isoprenoid synthesis, found in most apicomplexan parasites.</p>

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

<p>Atramycin A is an anthraquinone antibiotic with antitumor properties.</p>

<p>2'-(2-Nitrobenzyl)-ATP is an analog of rATP. It acts as a transcription terminator by inhibiting the elongation of RNA chains by T7 RNA polymerase.</p>

<p>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.</p>

<p>CDA-IN-4 (compound VS-24) is an inhibitor of chitin deacetylase (CDA). At a concentration of 100 μg/mL, CDA-IN-4 provides a protective effect of 61.2% against rice blast disease.</p>

<p>KKL-40 is a small-molecule inhibitor that targets the trans-translation process, effectively suppressing methicillin-sensitive and resistant Staphylococcus aureus (S. aureus) and other Gram-positive pathogens, including vancomycin-resistant Enterococcus faecium, Bacillus subtilis, and Streptococcus pyogenes. It works in synergy with the human antimicrobial peptide LL-37 to inhibit S. aureus, but does not show synergistic effects with other antibiotics such as daptomycin, kanamycin, or erythromycin. KKL-40 inhibits trans-translation, an extreme form of recoding, while being non-toxic to HeLa cells.</p>

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

<p>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.</p>

<p>Ladirubicin, as an anthracyclines analog is the leading compound of alkylcyclines.</p>

<p>HRSV/HMPV-IN-1 (compound 3) is an inhibitor targeting HRSV/HMPV, exhibiting EC50 values of &lt; 0.2 μM against human RSV-A and &lt; 0.5 μM for human MPV A2 TN/94-49. This compound is utilized in the study of bronchiolitis and pneumonia.</p>

<p>Antifungalagent 113 (compound 9a) serves as an effective antifungal and antibacterial agent. It exhibits strong inhibitory activity against both S. aureus and methicillin-resistant S. aureus.</p>

<p>SARS-CoV-2-IN-102 (example 58) is an inhibitor of the SARS-CoV papain-like protease (SARS-CoVPLpro), demonstrating an IC50 of less than 100 nM.</p>

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

<p>Compound 6q, a trifluoromethylpyridine oxadiazole, targets Xanthomonas oryzae with EC50 of 7.2 μg/mL.</p>

<p>Xeruborbactam isoboxil is a β-lactamase (beta-lactamase) inhibitor.</p>

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

<p>MsbA-IN-3 is a potent and highly selective MsbA inhibitor (IC50: 2 nM). MsbA-IN-3 inhibits Escherichia coli activity (MIC: 35 μM).</p>

<p>Dencatistat is a highly selective and oral cytidine triphosphate synthase 1 CTPS1 inhibitor specific.CTPS1-IN-2 for B-cell, T-cell lymphomas and solid tumors.</p>

<p>Bleomycin Free Base, a glycopeptide antibiotic, halts DNA function and treats solid tumors.</p>

<p>Fabimycin, a FabI inhibitor, combats drug-resistant gram-negative bacterial infections effectively.</p>

<p>NBD-14189: Potent HIV-1 entry blocker, binds gp120, IC50: 89 nM, strong antiviral (EC50 &lt;200 nM).</p>

<p>NFC nitro probe 1 (compound 18) is a chemical probe designed for the detection of Mtb, exhibiting high potency against both R-Mtb and NR-Mtb.</p>

<p>TB inhibitor 4, a spirothiazolidinone from mandelic acid, blocks 98% of M. tuberculosis H37Rv under 6 μg/mL.</p>

<p>HCVNS5B polymerase-IN-2 (Compound 298) is an inhibitor of the Ns5b polymerase. It holds potential for research into the treatment of hepatitis C virus (HCV) infections.</p>

<p>SID 26681509 is a selective inhibitor of cathepsin L (IC50: 56 nM) and blocks Plasmodium falciparum (IC50: 15.4 μM) and Leishmania major (IC50: 12.5 μM).</p>

<p>HIV-1 protease-IN-6 (17d) strongly inhibits HIV-1 protease (IC50: 21 pM, Ki: 4.7 pM) and effectively targets DRV-resistant mutants.</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>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>WM382, a potent dual PMIX/X inhibitor, has IC50s of 1.4 nM/0.03 nM and effective against various malaria stages.</p>

<p>EFP-IN-1: potent β-lysine derivative, inhibits EFP, slows E. coli growth.</p>

<p>Compound 11h: Potent, low-toxicity anti-influenza, inhibits M2 ion channels. EC50: 3.29μM (H3N2), 2.45μM (H1N1).</p>

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

<p>Compound (S,R)-48 inhibits Pf, Pv, &amp; Tbr PRT with Ki of 50, 20, 2 nM.</p>

<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>Anti-MRSA agent 27 (compound 4a) is a potent antimicrobial agent against methicillin-resistant Staphylococcus aureus (MRSA) with a minimum inhibitory concentration (MIC) of 0.0975 μmol/L. It effectively disrupts MRSA biofilms and inhibits the production of hemolysins.</p>

<p>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.</p>

<p>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.</p>

<p>Polθ-IN-8 (example 77) is a DNA polymerase θ (Polθ) inhibitor with an IC50 for Polθ ATPase activity of less than 100 nM. Polθ-IN-8 is useful for researching diseases related to Polθ activity, such as cancer.</p>

<p>Antimalarial 9, a quinoline-imidazole derivative, effectively targets CQ-susceptible (IC50-0.14 μM) and MDR strains (IC50-0.41 μM) with low toxicity.</p>

<p>SARS-CoV-2-IN-23 (compound GRL-0617) is an inhibitor of SARS-COV-2 papain-like protease (PLpro) (IC 50 = 2.3 μM) [1].</p>

<p>3-Deazaguanosine (C3Guo) exhibits potent antiviral activity against SARS-CoV-2 with an EC50 of 1.14 μM and a CC50 greater than 200 μM in Vero E6 cells. It has the potential to prevent COVID-19.</p>

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

<p>LasR-IN-1 (9g) strongly inhibits LasR, potent vs E. coli, with a 28.13 μM MIC against P. aeruginosa.</p>

<p>Cefclidin (Cefclidine) is a cephalosporin compound.</p>

<p>Massarilactone H, a polyketide, is a neuraminidase inhibitor, with an IC 50 of 8.18 µM .</p>

<p>Deleobuvir(BI207127) is an inhibitor of non-nucleoside hepatitis C virus NS5B polymerase for the treatment of hepatitis C.</p>

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

<p>Desthiazolylmethyl ritonavir is an alkaline-catalyzed degradation product of the HIV protease inhibitor Ritonavir.</p>

<p>Antifungalagent 127 (Compound 6c) is an antifungal agent with potent inhibitory activity against Botrytis cinerea and Rhizoctonia solani.</p>

<p>Antifungal agent 38, a heterocyclic disulfide, shrinks hyphae and damages cell membranes, causing leakage.</p>

<p>Ac-Atovaquone, an ester-acetylated derivative of atovaquone, acts as a potent inhibitor of cytochrome bc1 (cytochrome bc1). This compound shows potential for use in malaria research.</p>

<p>XR8-89, a potent PLpro inhibitor (IC50=0.1μM), blocks SARS-CoV-2 replication; useful for 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>

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

<p>BMIM-TFSI (compound8) is an HIV-1 integrase inhibitor that effectively suppresses both the 3'-processing (3'-P) and strand transfer (ST) steps of the integration process. It is applicable in HIV-1 research.</p>

<p>MsbA-IN-4 (Compound 32) is a highly selective and potent inhibitor of MsbA (IC50: 3 nM).MsbA-IN-4 inhibits Escherichia coli (MIC: 12 μM).</p>

<p>Antibacterial agent 81 blocks DNA transcription, targets S. aureus (MIC 12.5μM) &amp; M. smegmatis (MIC 7.8μM). Used in infection research.</p>

<p>Ro 24-4383 is a carbamate-linked dual-action antibacterial agent.</p>

<p>Compound 15c selectively inhibits SARS-CoV-2 nsp3 Mac1 with IC50 of 6.1 μM.</p>

<p>SARS-CoV-2-IN-82 (compound A) acts as an inhibitor of the Programmed-1 ribosomal frameshift (-1 PRF) in SARS-CoV-2 [1].</p>

<p>CDA-IN-1 (Compound vs#2-1) is an inhibitor of chitin deacetylase (CDA) that exhibits antifungal activity. By inhibiting fungal CDA activity, it activates plant immune responses and leads to the accumulation of reactive oxygen species (ROS), hindering fungal growth. At a concentration of 100 μM, CDA-IN-1 achieves inhibition rates of 86.9% on P. xanthii's PxCDA1 and 74.5% on PxCDA2. CDA-IN-1 is applicable in research on fungal plant diseases, such as cucumber powdery mildew and tomato gray mold.</p>

<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>

<p>ZLM-66: Doravirine analog, HIV-1 NNRTI inhibitor, IC50: 41nM, EC50: HIV-1 13nM, cIAP1 0.32nM; useful in AIDS research.</p>

<p>HIV-1 inhibitor-41 (B23): Oral non-nucleoside reverse transcriptase blocker, EC50 of 50 nM (E138K), 20.8 nM (WT), low hERG/CYP impact, non-toxic.</p>

<p>SARS-CoV-2 Mpro-IN-25 (Compound 3a) is a protease inhibitor for SARS-CoV-2, exhibiting an IC50 value of 0.26 μM. It demonstrates antiviral activity and is useful for research in the field of pneumonia.</p>

<p>CDK9-IN-34 (Compound 1b) is an inhibitor of CDK9 with an IC50 of 0.25 μM. It exhibits cytotoxicity against cancer cell lines HCT116, MCF7, and K652, with IC50 values of 1.43 μM, 3.01 μM, and 50.27 μM, respectively. Additionally, CDK9-IN-34 demonstrates antiviral activity against coronavirus 229E with an IC50 of 145.92 μM.</p>

<p>LpxH-IN-2 (compound 014), a potent inhibitor of LpxH, exhibits antibacterial activity against E. coli.</p>

<p>RSV-IN-7 (example 253) is a RSV inhibitor ( EC 50 : &lt; 0.4 μΜ) .</p>

<p>Antibacterial agent 80 (compound 20) has antibacterial activity [1].</p>

<p>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].</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>EBOV-IN-10 is an orally active inhibitor of the Ebola virus (EBOV) with an EC50 value of 0.19 μM.</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>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>Polθ-IN-7 (example 12) is an inhibitor of DNA polymerase θ (Polθ) with a Ki of 1.27 nM.</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>5,6-Dihydro-5-azathymidine exhibits activity against both Gram-positive and Gram-negative bacteria, as well as DNA viruses.</p>

<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>