Antibacterial compound 1 is an antibacterial compound.

1-{1H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine dihydrochloride (1-PPZ-DHC) is a compound used as a molecular structural unit. It is an analog of the natural product piperazine and has a wide range of biological activities, including anti-inflammatory, anti-tumor and antibacterial activities. It has also been studied for the treatment of neurological disorders such as Alzheimer's and Parkinson's.

Antibacterial agent 162 trifluoromethanesulfonate (compound 7), a dual-function molecule, demonstrates potent inhibitory effects on Staphylococcus aureus, encompassing MRSA strains, and exerts antiproliferative activity against colon cancer and non-small cell lung cancer cells. This compound is applicable in both anticancer and antibacterial research [1].

Compound 24f, an antifungal agent also known as 'Antifungal agent 85,' demonstrates potent antibacterial properties, exhibiting minimum inhibitory concentration (MIC) values ranging from 2.5 to 10 μM against diverse Gram-positive bacteria [1].

Compound 6 (Antibacterial agent 161, trifluoromethanesulfonate) exhibits antibacterial properties and demonstrates significant antiproliferative effects against colon cancer and non-small cell lung cancer [1].

18-O-Demethylpederin, a pederin analogue, is a natural polyketide first isolated from Paederus. This compound is a non-protein insect toxin and exhibits a range of biological activities, such as antibacterial, antiviral, and antitumor properties [1].

Ajoene is a disulfide that has been found inA. sativumand has diverse biological activities, including antibacterial, anticancer, antiplatelet, and antioxidant properties.1,2,3,4It is active against Gram-positive (MICs = 5-160 µg/ml) and Gram-negative bacteria (MICs = 136-200 µg/ml), as well as yeasts (MICs = 10-20 µg/ml).1Ajoene is cytotoxic to mouse melanoma cells (IC50= 18 µM), as well as human colon, lung, mammary, and pancreatic cancer cells (IC50s = 7-41 µM).2It reduces tumor growth in a B16/BL6 mouse model of melanoma when administered at a dose of 25 mg/kg every other day and decreases the number of lung metastases when administered prior to tumor cell inoculation at doses ranging from 1-25 mg/kg. It inhibits ADP- or collagen-induced platelet aggregation in isolated baboon platelets when used at concentrations ranging from 75 to 150 µg/ml and in platelet-rich plasma isolated from baboons when administered at a dose of 25 mg/kg.3Ajoene (25 mg/kg) prevents thrombus formation on damaged arterial walls in heparinized pigs in anin situmodel of thrombogenesis.5It also reduces high-fat diet-induced hepatic steatosis, histopathological markers of liver damage, thiobarbituric acid reactive substances (TBARS) formation, and protein oxidation in a mouse model of non-alcoholic fatty liver disease (NAFLD).4 1.Naganawa, R., Iwata, N., Ishikawa, K., et al.Inhibition of microbial growth by ajoene, a sulfur-containing compound derived from garlicAppl. Environ. Microbiol.62(11)4238-4242(1996) 2.Taylor, P., Noriega, R., Farah, C., et al.Ajoene inhibits both primary tumor growth and metastasis of B16/BL6 melanoma cells in C57BL/6 miceCancer Lett.239(2)298-304(2006) 3.Teranishi, K., Apitz-Castro, R., Robson, S.C., et al.Inhibition of baboon platelet aggregation in vitro and in vivo by the garlic derivative, ajoeneXenotransplantation10(4)374-379(2003) 4.Han, C.Y., Ki, S.H., Kim, Y.W., et al.Ajoene, a stable garlic by-product, inhibits high fat diet-induced hepatic steatosis and oxidative injury through LKB1-dependent AMPK activationAntioxid. Redox Signal.14(2)187-202(2011) 5.Apitz-Castro, R., Badimon, J.J., and Badimon, L.A garlic derivative, ajoene, inhibits platelet deposition on severely damaged vessel wall in an in vivo porcine experimental modelThromb. Res.75(3)243-249(1994)

Gamma-Glutamyl Transferase-IN-2 (compound 4dq), a β-carboline 1-hydrazide inhibitor, exhibits both antifungal and antibacterial properties by targeting glutamyltransferase. Its mode of action includes inducing reactive oxygen species accumulation, compromising cell membranes, and disrupting histone acetylation processes [1].

Antibacterial agent 163 (compound 1), a hydroxyquinoline derivative, potently inhibits methicillin-resistant Staphylococcus aureus (MRSA) [1].

ATP Synthesis-IN-1 (Compound 4), a quinoline derivative, potently inhibits PA ATP synthesis with an IC50 of 11.1μg/mL and exhibits antibacterial properties. This compound is utilized in studying drug-resistant PA infections [1].

Trans-β-terpineol, a monoterpenoid compound extracted from Schinus terebinthifolius leaves, exhibits antioxidant and antibacterial properties. This bioactive compound contributes to the antibacterial activity observed in Schinus terebinthifolius [1].

3′-Omethyl-5′-hydroxydiplacone (compound 2), a C-6-geranylflavonoid isolated from the ethanol extract of Paulownia tomentosa fruits, exhibits antibacterial activity against Gram-positive bacteria [1].

3-O-Methylellagic acid, a natural product isolated from Myrciaria cauliflora, exhibits anti-inflammatory and antibacterial activities. This compound not only inhibits glucose transport but also demonstrates a minimum inhibitory concentration (MIC) of 32 μg/mL against Staphylococcus aureus ATCC 25923 [1] [2] [3].

Elastase LasB-IN-1 (Compound 4b), a potent and selective inhibitor of elastase LasB, exhibits antibacterial activity and has been determined to possess an IC50 value of 76 nM [1].

Gamma-Glutamyl Transferase-IN-1 (compound 4de), a β-carboline 1-hydrazide inhibitor, exhibits antifungal and antibacterial properties by targeting glutamyltransferase. Its mechanism of action involves inducing the accumulation of reactive oxygen species, disrupting cell membranes, and dysregulating histone acetylation [1].

DNA gyrase B-IN-2 (Compound E), a 2-aminobenzothiazole derivative, serves as a potent inhibitor of DNA gyrase B with substantial efficacy against ESKAPE pathogens. The compound exhibits potent nanomolar-range inhibition (IC 50 < 10 nM) and a broad-spectrum antibacterial effect, with minimum inhibitory concentrations below 0.03 μg/mL for most Gram-positive species and between 4–16 μg/mL for Gram-negative species including E. coli, Acinetobacter baumannii, Pseudomonas aeruginosa, and Klebsiella pneumoniae. DNA gyrase B-IN-2 is applicable in infection research [1].

CRAMP-18 (mouse) is an antibiotic peptide with demonstrated efficacy against Gram-negative bacteria, including S. typhimurium and P. aeruginosa, while exhibiting no hemolytic activity. This compound shows promise for research into antifungal, antibacterial, and antitumor applications [1] [2].

Antibiofilm Agent-2 (Compound 4T) serves as a potent biofilm inhibitor, exhibiting an IC50 of 3.6 μM, and impairs the quorum sensing system along with iron homeostasis, acting as antibacterial synergists against Pseudomonas aeruginosa [1].

Antibacterial agent 165 (compound 3), a hydroxyquinoline derivative, effectively inhibits methicillin-resistant Staphylococcus aureus (MRSA) [1], demonstrating its potent antibacterial properties.

Antiproliferative Agent-33 (Compound 2g) serves as an anti-proliferative, antifungal, and antibacterial agent, effectively inhibiting the proliferation of MDA-MB-231 cells (IC50: 16.38 μM), impairing the growth of gram-negative bacteria, and restraining S. faecalis with an MIC of 8 μg/mL [1].

ATP Synthesis-IN-2 (Compound 5) serves as a potent inhibitor of ATP synthesis activity, displaying significant antibacterial properties with an IC50 value of 0.7 μg/mL against Pseudomonas aeruginosa (PA) [1].

LtaS-IN-2 (compound 13), a derivative of LtaS-IN-1 [1], is an LTA synthesis inhibitor with antibacterial properties against S. aureus and S. epidermidis, exhibiting MIC90 values of 0.5 μg/mL and 1 μg/mL, respectively.

17-Hydroxyneomatrine, a compound derived from Sophora flavescens, exhibits multifaceted biological activities, including the inhibition of human cervical carcinoma Hela cell growth, along with broad-spectrum antibacterial, anti-allergy, anti-tumor, anti-arrhythmia, diuretic, anti-inflammatory, immunomodulatory, and bio-regulatory properties [1].

Cyclo(L-Leu-L-Trp) is a diketopiperazine metabolite initially derived from Penicillium, exhibiting antibacterial (MICs = 125-1000 µg/ml) and antifungal activities (MICs = 8-64 µg/ml). It also demonstrates antioxidant properties by reducing the production of hydroxy radicals, as evidenced in an electron spin resonance (ESR) spectroscopy assay (IC50 = 1.8 µM). Additionally, Cyclo(L-Leu-L-Trp) has been identified as a bitter compound capable of quickly crossing rat taste cell membranes ex vivo at a 1 mM concentration. Furthermore, it acts as a melatonin receptor agonist in X. laevis melanophores, suppressing cAMP accumulation at a 20 µM concentration, with this effect being negated by the melatonin receptor antagonist luzindole.

Enterocin K1 (EntK1) is a ribosomally synthesized bacteriocin that exerts potent antibacterial activity against Vancomycin-resistant Enterococcus (VRE). It targets Enterococcus faecalis by interacting with the Eep protein on the bacterial membrane. The compound holds potential for research into VRE infections [1].

DHDPS-IN-1 (compound 8) is a inhibitor of dihydrodipicolinate synthase(DHDPS) with IC50 of 39 μM that can be used in the area of antibacterial and herbicidal [1].

ThrRS-IN-1 (Compound 30d) is a potent inhibitor of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica (Se ThrRS), exhibiting an IC50 of 1.4 μM and a Kd of 1.36 μM. It uniquely targets both the tRNA Thr and L-threonine binding sites of ThrRS, demonstrating significant antibacterial activities [1].

MtTMPK-IN-4 (compound 2), a para-piperidine, is a highly potent inhibitor of thymidylate kinase (MtTMPK) in Mycobacterium tuberculosis, exhibiting an IC50 value of 6.1 μM. Additionally, it possesses remarkable inhibitory activity against tyrosinase. Furthermore, MtTMPK-IN-4 exhibits potent antibacterial properties [1] [2].

Antibacterial Agent 136 (Compound 3), an oxadiazolone antibiotic, exhibits high antibacterial potency against Methicillin-resistant Staphylococcus aureus (MRSA), with a minimum inhibitory concentration (MIC) 50 value of 0.8 μM [1].

Compound A11 (Antibacterial agent 86) exhibits the highest bacteriostatic activity against methicillin-resistant S. aureus, with minimum inhibitory concentration (MIC) values reaching as low as 0.00191 μg/mL. This efficacy is 162 and 32 times greater than the commercial antibiotics tiamulin and retapamulin, respectively [1].

MDP1, derived from Melittin, disrupts the membrane integrity of both Gram-positive and Gram-negative bacteria, leading to bacterial death through membrane damage. This compound exhibits potent antibacterial activity against multidrug-resistant (MDR) and reference strains of S. aureus, E. coli, and P. aeruginosa [1].

Anti-MRSA agent 7 (Compound 12) serves as a potent antibacterial compound effectively inhibiting both S. aureus and E. coli DNA gyrases, as well as topo IV enzymes from the same organisms, with IC50 values of 0.185 μM, 0.365 μM, 0.341 μM, and 0.059 μM, respectively [1].

Antibacterial Agent 123 (Compound 111) serves as an effective membrane-disrupting agent targeting antibiotic-resistant Gram-positive bacteria [1].

Pulcherriminic acid, a cyclic dipeptide antimicrobial compound predominantly found in Bacillus and yeast, exhibits a strong affinity for Fe3+. It chelates iron ions via a non-enzymatic reaction, forming the extracellular red pigment pulcherrimin. This pigment competes for iron nutrition, thereby exerting an antibacterial effect. Pulcherriminic acid holds significant potential for applications in the food, agriculture, and medical industries [1] [2].

Cephalexin (Cefalexin) hydrochloride monohydrate is a potent, orally active, semisynthetic cephalosporin antibiotic with a broad antibacterial spectrum against a wide range of gram-positive and gram-negative bacteria. It operates by targeting penicillin-binding proteins (PBPs) to inhibit bacterial cell wall synthesis. This compound is utilized in the research of various bacterial infections, including pneumonia, strep throat, and bacterial endocarditis [1] [2].

Antibacterial agent 75 (compound 24) possesses antibacterial properties. Its notable attribute is the ability to re-sensitize VRSA (Vancomycin-Resistant Staphylococcus aureus) strains to vancomycin, as reported in reference [1].

14α-Demethylase/DNA Gyrase-IN-1 (Compound 7c) is a potent inhibitor of 14α-Demethylase/DNA Gyrase with antibacterial activity.

Sulfisoxazole diethanolamine, also known as Sulfafurazole diethanolamine, is a sulfonamide antibacterial compound with an oxazole substituent. It acts as an endothelin receptor antagonist, specifically targeting endothelin receptor A with an IC50 value of 0.60 μM and endothelin receptor B with an IC50 value of 22 μM. Additionally, Sulfisoxazole diethanolamine has been found to inhibit the release of breast cancer exosomes by specifically targeting endothelin receptor A [1] [2].

VEGFR-2/DHFR-IN-1 (compound 8b) is a chemical inhibitor targeting VEGFR-2 and DHFR, exhibiting IC50 values of 0.384 μM and 7.881 μM, respectively. It demonstrates effective antibacterial properties against a range of pathogens including Escherichia coli, Streptococcus faecalis, Salmonella enterica, MSSA, and MRSA, with MIC values ranging from 8 to 16 μg/mL. Additionally, this compound shows potent cytotoxic effects against various cancer cell lines such as C26, HepG2, and MCF7, with IC50 values between 2.97 and 7.12 μM, rendering it a valuable tool for cancer research [1].

Antibacterial agent 94 (compound 5b) is a highly effective antibacterial agent that demonstrates strong activity against various bacterial strains. Notably, Antibacterial Agent 94 is capable of eradicating MRSA persisters, highlighting its potential as a therapeutic solution. Its mechanism of action involves interference with the bacterial membrane and disruption of the phosphatidylglycerol (PG) synthesis pathway [1].

Antibacterial agent 80 (compound 20) has antibacterial activity [1].

Isocryptomerin, a membrane-active antifungal compound isolated from Selaginella tamariscina, not only depolarizes fungal plasma membranes but also exhibits anticancer and antibacterial activities [1] [2].

Allyl methyl trisulfide, a volatile organic compound found in garlic (Allium sativum L.) essential oil, exhibits antibacterial, antioxidant, and antitumor activities [1].

DNA gyrase B-IN-3 (Compound A), with an IC50 of less than 10 nM, acts as an inhibitor of bacterial DNA gyrase B and exhibits antibacterial activity against Gram-positive strains [1].

Palmatine hydroxide is an orally active, irreversible inhibitor of indoleamine 2,3-dioxygenase 1 (IDO-1), demonstrating IC50 values of 3 μM for HEK 293-hIDO-1 and 157μM for rhIDO-1. Additionally, it uncompetitively inhibits the West Nile virus (WNV) NS2B-NS3 protease with an IC50 of 96 μM. This compound exhibits a range of biological activities, including anti-cancer, anti-oxidation, anti-inflammatory, neuroprotective, antibacterial, and antiviral effects.

Chrysophanein (Chrysophanol 1-O-glucoside) is a hydroxyquinone compound from Aloe vera with antibacterial, antifungal, and antioxidant activity.

Cochliodone A, a bioactive compound isolated from the deep-sea fungus Chaetomium sp., exhibits both antibacterial and anticancer properties. This substance demonstrates toxicity against multiple bacterial strains, as evidenced by its minimum inhibitory concentrations (MICs) of 15.3 μg/mL for V. vulnificus, 32.7 μg/mL for V. rotiferianus, 15.9 μg/mL for S. aureus ATCC 43300, and 16.3 μg/mL for S. aureus CGMCC 1.12409. Additionally, Cochliodone A effectively inhibits several cancer cell lines, with half-maximal inhibitory concentrations (IC50s) recorded at 28.1 μM for A549, 20.7 μM for HeLa, and 23.2 μM for Hep G2 [1].

Antibacterial Agent 144 (compound 8e) exhibits superior efficacy against multi-resistant Staphylococcus aureus compared to Chloromycin and Amoxicillin. It acts by disrupting the bacterial cytoplasmic membrane and inhibiting biofilm formation. Additionally, it binds to human serum albumin (HSA) with a dissociation constant (Kd) of 13.2 μM, enhancing its bactericidal activity. This compound also forms a supramolecular complex with DNA, thereby hindering DNA replication [1].

Antibacterial Agent 154 (Compound 7), a Fluoroquinolone derivative, exhibits broad-spectrum efficacy against both Gram-positive and Gram-negative bacteria when administered orally. It has been shown to be effective in vivo using a mouse model of staphylococcal sepsis [1].

Maximin 78 is an antimicrobial peptide with antibacterial activity against C. albicans, S. aureus, and B. subtilis, exhibiting minimum inhibitory concentrations (MIC) of 37.5, 4.7, and 37.5 μg/mL, respectively. Additionally, this compound has hemolytic activities against human and rabbit red cells [1].