{"title":"Synthesis and Characterization of Novel (Substituted-Phenyl)-(5-Methoxy-2-Phenyl-1H-1,3-Benzimidazol-1-yl) Methanone Derivatives and Evaluation of Anticancer Activity","authors":"Ranjeeta Verma, Shweta Verma, Nahid Abbas","doi":"10.1155/hc/4255242","DOIUrl":"https://doi.org/10.1155/hc/4255242","url":null,"abstract":"<p>A series of 5-methoxy aryl benzimidazole derivatives were designed and synthesized using a simple two-step facile method. The novel benzimidazole derivatives were characterized through FT-IR, <sup>1</sup>H-NMR,<sup>13</sup>C-NMR, and LC-MS. The synthesized compounds (<b>C1–C9</b>) were screened for their <i>in vitro</i> anticancer activity against MCF-7 (human breast adenocarcinoma), HeLa (cervical cancer), and A549 (non–small-cell lung carcinoma) cell lines using cell viability assays. These cell lines exhibit high basal surface expression of EGFR, the cytotoxic effects were evaluated over a broad concentration range (0.625 to 300 µg/mL), and the IC<sub>50</sub> values were determined. Doxorubicin was used as a standard reference drug for comparison. In the designed 5-methoxy aryl benzimidazole derivatives, C1 and C7 were the top hits in molecular docking. They had better interaction than the standard reference, with interaction energies of −9.280 and −9.250 kcal/mol, respectively. They had hydrogen bond interactions with THR798 and MET801 at the ATP-binding site of EGFR kinase.</p><p>Among the tested compounds, C7 and C1 demonstrated significant anticancer activity, showing potent growth inhibition with an IC50 value of 9.2 ± 0.5 µM against the MCF-7 cell line, highlighting its potential as a strong candidate for breast cancer therapy. Similarly, Compound C1 demonstrated notable potency against the A549 cell line, with an IC50 value of 16.6 ± 2.3 µM. These novel 5-methoxy aryl benzimidazole derivatives exhibited potent anticancer activity.</p>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2026 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2026-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/hc/4255242","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148167127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Bionic Lotus-Leaf-Inspired Superhydrophobic Nanostructure for High-Performance Pharmaceutical Organic Adsorption","authors":"Zuo-Jia Li, Jing-Xuan Chen, Qin-Yu Fan, Jia-Jian Yang, Xing-Fang Yu, Yuan-Fang Li, Xin Zeng, Jing-Wen Zhang, Yun-Xiu Zhang, Qiu-Xiang Liang, Hua Zeng","doi":"10.1155/hc/9256593","DOIUrl":"https://doi.org/10.1155/hc/9256593","url":null,"abstract":"<p>A bionic superhydrophobic method was conducted by combining hydrophobic modification of three-dimensional (3D) and two-dimensional (2D) materials with surface nanostructure regulation. Polydimethylsiloxane (PDMS)-modified nanosilica (SiO<sub>2</sub>) was utilized with heteroatom-functionalized aminosilane (KH550) as a key coupling agent to prepare a uniformly dispersed PDMS/SiO<sub>2</sub> composite solution, which was then coated onto 3D polyurethane (PU) foam and 2D cellulose membranes (CF) to mimic the “lotus leaf” micro–nano papillary structure. A homogeneous nanoscale rough surface was achieved on the modified material, with a water contact angle of 152.3° and an oil contact angle approaching 0°, demonstrating exceptional superhydrophobicity and superoleophilicity. Separation experiments indicated selective adsorption of organic solvents typical in pharmaceutical processes, with a dichloromethane adsorption capacity of 21.07 g/g. After 10 adsorption-squeezing cycles, the material retained over 85% of its initial adsorption capacity, highlighting its durability. This study provides a cost-effective and environmentally friendly approach for developing high-efficiency materials for the removal and recovery of organic solvents from aqueous streams in pharmaceutical manufacturing and wastewater treatment.</p>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2026 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/hc/9256593","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145964339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Regioselective Multicomponent Approach for the Synthesis of Novel 2-Acetyl-4-phenylquinoline Designed Monospiro-Pyrrolidine and Thiapyrrolizidine Hybrids","authors":"Satheeshkumar Rajendran, Arul Murugesan, Shankar Ramasamy","doi":"10.1155/hc/9980952","DOIUrl":"https://doi.org/10.1155/hc/9980952","url":null,"abstract":"<p>A convenient approach for the synthesis of 2-acetyl-4-phenylquinoline designed monospiro-pyrrolidine/thiapyrrolizidine hybrids has been achieved via a 1,3-dipolar cycloaddition reaction of various azomethine ylides derived from isatin/acenaphthylene-1,2-dione/ninhydrin, <i>ortho</i>-phenylenediamine and sarcosine/<i>L</i>-4-thiazolidinecarboxylic acid with 2-acetyl-4-phenylquinoline chalcone derivatives as dipolarophile. The regio- and stereochemistry of formation of the cycloadducts were determined by proton, carbon and 2D NMR and HR-MS techniques. Additionally, the formation of products based on the secondary orbital interaction mechanism and intrinsic reaction coordinate calculation (HOMO and LUMO) on the proposed TS structure was unambiguously confirmed by the density functional theory using the B3LYP/6-311G(d,p) levels of theory.</p>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2025 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2025-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/hc/9980952","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145891705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and Characterization of Carbonyl–Ruthenium Trisubstituted-Germylene Compounds","authors":"Peng Nie, Zhong-yu Xia","doi":"10.1155/hc/9933282","DOIUrl":"https://doi.org/10.1155/hc/9933282","url":null,"abstract":"<p>Owing to the remarkable physical properties and versatile chemistry of germanium, the synthesis of ruthenium–germylene compounds offers broad application potential and addresses important practical demands. In this study, we explored the substitution reactivity of germylene ligands both prior to and following coordination to transition metals. Using the ferrocenylacetylene-supported germylene FcC ≡ CGe(NArCMe)<sub>2</sub>CH (<b>1</b>, Fc = (η<sup>5</sup>-C<sub>5</sub>H<sub>4</sub>)Fe(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)) as a precursor, the bis(germylene)-coordinated ruthenium complex Ru(CO)<sub>3</sub>[FcC ≡ CGe(NArCMe)<sub>2</sub>CH]<sub>2</sub> (<b>2</b>, Ar = 2,6-iPr<sub>2</sub>C<sub>6</sub>H<sub>3</sub>) was synthesized. Treatment of the carbonyl–ruthenium–germylene compound Ru(CO)<sub>3</sub>[ClGe(NArCMe)<sub>2</sub>CH]<sub>2</sub> (<b>3</b>) with a reducing agent, followed by workup, afforded a novel ruthenium–germylene complex, Ru(CO)<sub>4</sub>[(OH)Ge(NArCMe)<sub>2</sub>CH] (<b>4</b>). In this species, the chlorine atom bound to germanium is replaced by a hydroxyl group, and only a single germylene ligand coordinates to the ruthenium center. In contrast, the reaction of complex <b>3</b> with tricyclohexylphosphine (PCy<sub>3</sub>) yielded the previously reported compound Ru(PCy<sub>3</sub>)<sub>2</sub>(CO)<sub>3</sub> (<b>5</b>). The molecular structures of complexes <b>2</b> and <b>4</b> were confirmed by X-ray crystallography and spectroscopic analyses, while the structure of <b>5</b> was verified by comparison with literature data.</p>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2025 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/hc/9933282","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145626153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"CuI/PPA-Catalyzed Synthesis of Novel Sulfur-Containing Quinoline Isosteres: In Silico and DFT Analyses","authors":"Kolandaivel Prabha, Satheeshkumar Rajendran, Gamze Tüzün, Kailasam Saravana Mani, Koray Sayin","doi":"10.1155/hc/9933732","DOIUrl":"https://doi.org/10.1155/hc/9933732","url":null,"abstract":"<div>\u0000 <p>The promising approach toward the synthesis of novel sulfur-based quinoline and benzoquinoline isostere molecules. The condensation reaction involves 4-chloro-2,8-dimethylquinolines or 4-chloro-2-methylbenzo[<i>h</i>]quinoline and corresponding <i>o</i>-thiosalicylic acid and 2-mercaptonicotinic acid, either in ethanol (as a solvent) or under solvent-free (neat) conditions. This results in the formation of an intermediate, which yields significantly better results when using neat solvent-free conditions. The intermediates then undergo cyclization using polyphosphoric acid (PPA). Notably, the sulfur-based quinoline and benzoquinoline isosteres are prepared through a highly efficient one-pot methodology using CuI/Cs<sub>2</sub>CO<sub>3</sub>/DMSO conditions, which yields higher than the PPA condition through a step-by-step method. The synthesized novel sulfur-containing isosteres are further analyzed through quantum chemical calculations of the frontier molecular orbitals (FMOs) and molecular electrostatic potential (MEP) using the M06-2X method with a 6-311 + G (d, p) basis set in water. Additionally, in silico analyses are performed in detail to predict the potential biological activity of the synthesized molecules through molecular docking and MM-GBSA analysis against the CDK8/CycC complex. Furthermore, ADME parameters have been analyzed, and all the final cyclized molecules show the most promising drug-like properties, inspiring further research in medicinal chemistry.</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2025 1","pages":""},"PeriodicalIF":1.4,"publicationDate":"2025-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/hc/9933732","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144725688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Felix Odame, Tatenda Madanhire, Clement Tettey, David Neglo, Francisca Adzaho, Daniel Sedohia, Eric C. Hosten
{"title":"Anticancer and Antimicrobial Activity of Some New 2,3-Dihydro-1,5-benzodiazepine Derivatives","authors":"Felix Odame, Tatenda Madanhire, Clement Tettey, David Neglo, Francisca Adzaho, Daniel Sedohia, Eric C. Hosten","doi":"10.1155/2023/3390122","DOIUrl":"10.1155/2023/3390122","url":null,"abstract":"<div>\u0000 <p>A series of 2,3-dihydro-1,5-benzodiazepine derivatives have been synthesized and characterized using IR, NMR, GC-MS, single crystal XRD, and microanalysis. The results of their antibacterial activity against methicillin-resistance <i>Staphylococcus aureus</i>, <i>Escherichia coli</i>, <i>Klebsiella pneumoniae</i>, <i>Bacillus subtilis</i>, <i>Streptococcus mutans</i>, <i>Pseudomonas aeruginosa</i>, <i>Salmonella typhi</i>, and <i>Streptococcus pyrogens</i> indicated that most of the compounds were bacteriostatic (0.125−4 mg/mL) and also exhibited good biofilm inhibition (0.21−72.69%). The compounds were found to be synergistic when used in combination with other antibiotics. The antiproliferative and cytotoxic effects were also investigated against PC-3 prostate cancer and RAW 264.7 macrophage cell lines, respectively, using the MTT assay. Apart from compounds <b>6</b> and <b>7</b>, a good number of the compounds (<b>1</b>, <b>2</b>, <b>3</b>, <b>4</b>, <b>5,</b> and <b>8</b>) were selectively toxic to the prostate cancer cells at 20 <i>µ</i>M, whilst sparing the normal cells. Compound <b>3</b> demonstrated the highest antiprostate cancer effect by reducing the viability of PC-3 cells to (13.75%), which was followed by compounds <b>1</b> (47.72%), <b>2</b> (48.18%), <b>4</b> (62.61%), <b>5</b> (66.70%), and <b>8</b> (69.55%).</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2023 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/2023/3390122","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135590201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ngoc Hung Truong, Thi Hong Ha Tran, Kim Chi Hoang, Duc Bao Ninh, Viet Duc Le, Duc Anh Le, Van Chinh Luu
{"title":"Novel Thioethers of Dihydroartemisinin Exhibiting Their Biological Activities","authors":"Ngoc Hung Truong, Thi Hong Ha Tran, Kim Chi Hoang, Duc Bao Ninh, Viet Duc Le, Duc Anh Le, Van Chinh Luu","doi":"10.1155/2023/6761186","DOIUrl":"10.1155/2023/6761186","url":null,"abstract":"<div>\u0000 <p>Eleven conjugates between dihydroartemisinin (DHA) with thiols containing both ether and thioether bonds were designed, synthesized by a two-step procedure including etherification and <i>S-</i>alkylation. Analysis of the NMR spectral data indicated that the dimer of DHA with thiols 6-mercaptopurine and 2-mercaptoimidazole was produced with yields of 31% and 62%, respectively. Furthermore, the tautomerization of thiol 5-methoxy-2-mercaptobenzimidazole led to the formation of a mixture of two isomers in which they might be interchangeable through a dynamic tautomeric equilibrium in the solution. Screening <i>in vitro</i> biological activities revealed that most of the synthesized conjugates showed good cytotoxic and anti-inflammatory activity, while three of them displayed <i>α</i>-glucosidase inhibitory activity. Notably, two conjugates <b>5d</b> and <b>5e</b> of DHA with thiols 2-mercaptopyrimidine and 2-mercaptobenzothiazole had an effect in all tested activities in which conjugate <b>5e</b> is the most potent.</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2023 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/2023/6761186","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43210005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Quang Trung Nguyen, Phuong Nam Pham Thi, Quang Do Bui, Van Tuyen Nguyen
{"title":"Synthesis, Spectral Characterization, and Biological Activities of Some Metal Complexes Bearing an Unsymmetrical Salen-Type Ligand, (Z)-1-(((2-((E)-(2-Hydroxy-6-methoxybenzylidene)amino)phenyl)amino) methylene) Naphthalen-2(1H)-one","authors":"Quang Trung Nguyen, Phuong Nam Pham Thi, Quang Do Bui, Van Tuyen Nguyen","doi":"10.1155/2023/4563958","DOIUrl":"10.1155/2023/4563958","url":null,"abstract":"<div>\u0000 <p>An unsymmetrical salen-type Schiff base ligand, (Z)-1-(((2-((E)-(2-hydroxy-6-methoxybenzylidene)amino)phenyl)amino)methylene)naphthalen-2(1H)-one, and its Zn(II), Cu(II), Co(II), Mn(II), and Fe(III) complexes were synthesized and characterized by mass (MS), nuclear magnetic resonance (NMR), infrared (IR), ultraviolet-visible (UV-Vis) spectra, and effective magnetic moments. The thermal analyses of the obtained ligand and metal complexes were conducted by thermogravimetric analysis (TGA). Antimicrobial activity of the unsymmetrical Schiff base ligand and its metal complexes were examined for <i>Staphylococcus aureus</i> as Gram-positive bacteria and <i>Escherichia coli</i> as Gram-negative bacteria. <i>In vitro</i> anticancer property of synthetic compounds was estimated against human cancer cell lines, a subline of Hela tumor cell line (KB), and a human liver cancer cell line (HepG-2) as well.</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2023 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/2023/4563958","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42452008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cedric Dzidzor Kodjo Amengor, Cynthia Amaning Danquah, Emmanuel Bentil Asare Adusei, Francis Klenam Kekessie, Francis Ofosu-Koranteng, Paul Peprah, Benjamin Kingsley Harley, Emmanuel Orman, Joseph Adu, Yussif Saaka
{"title":"Synthesized Phosphonium Compounds Demonstrate Resistant Modulatory and Antibiofilm Formation Activities against Some Pathogenic Bacteria","authors":"Cedric Dzidzor Kodjo Amengor, Cynthia Amaning Danquah, Emmanuel Bentil Asare Adusei, Francis Klenam Kekessie, Francis Ofosu-Koranteng, Paul Peprah, Benjamin Kingsley Harley, Emmanuel Orman, Joseph Adu, Yussif Saaka","doi":"10.1155/2022/7411957","DOIUrl":"10.1155/2022/7411957","url":null,"abstract":"<div>\u0000 <p>A library of six compounds with new hybrids in a single molecule triazole ring attached to the phosphonium salts was synthesized. Click chemistry was, however, used to synthesize the 1-, 2-, and 3-triazole intermediates as a tether for the hybrid phosphonium salts. Their antibacterial activity against Gram-positive bacteria (<i>Staphylococcus aureus and Enterococcus faecalis</i>), Gram-negative bacteria (<i>Escherichia coli and Pseudomonas aeruginosa</i>), and <i>Mycobacterium smegmatis</i> mc<sup>2</sup>155 was determined using the HT-SPOTi assay. Compound 2 showed the most effective antimicrobial activity as it inhibited the growth of <i>Pseudomonas aeruginosa</i> and <i>Staphylococcus aureus</i> at 0.0125 <i>µ</i>g/mL and 31.25 <i>µ</i>g/mL, respectively. From the FICI data, compounds 2ET-TOL (2) and RABYL-TOL (4) successfully modulated the activities of amoxicillin against <i>Pseudomonas aeruginosa</i> and <i>Staphylococcus aureus</i>. All the test compounds exhibited a concentration-dependent biofilm formation inhibition against <i>S. aureus</i>, except P-Z (compound 6). Compounds P-MEOXY (1) and 2ET-TOL (2) exhibited mild activity against <i>P. aeruginosa</i> with compound 4 showing antimycobacterial activity at 500 µg/mL.</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2022 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/2022/7411957","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44750461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bin Wang, Wei-Ting Chen, Li-Jing Min, Liang Han, Na-Bo Sun, Xing-Hai Liu
{"title":"Synthesis, Structure, and Antifungal Activities of 3-(Difluoromethyl)-Pyrazole-4-Carboxylic Oxime Ester Derivatives","authors":"Bin Wang, Wei-Ting Chen, Li-Jing Min, Liang Han, Na-Bo Sun, Xing-Hai Liu","doi":"10.1155/2022/6078017","DOIUrl":"10.1155/2022/6078017","url":null,"abstract":"<div>\u0000 <p>Fifteen new pyrazole-4-carboxylic oxime ester derivatives were conveniently synthesized, and their structures were confirmed by <sup>1</sup>H NMR, <sup>13</sup>C NMR, HRMS, and X-ray diffraction. Antifungal assays indicated that some of these compounds possessed good activity against <i>S. sclerotiorum, B. cinerea, R. solani, P. oryae,</i> and <i>P. piricola</i> at 50 ppm. Structure-activity relationships (SAR) were studied by molecular docking simulation.</p>\u0000 </div>","PeriodicalId":12816,"journal":{"name":"Heteroatom Chemistry","volume":"2022 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2022-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1155/2022/6078017","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46692083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}