{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T14:56:30Z","timestamp":1761490590368},"reference-count":38,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2018,6,25]],"date-time":"2018-06-25T00:00:00Z","timestamp":1529884800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Med Chem Res"],"published-print":{"date-parts":[[2018,8]]},"DOI":"10.1007\/s00044-018-2206-9","type":"journal-article","created":{"date-parts":[[2018,6,25]],"date-time":"2018-06-25T09:34:41Z","timestamp":1529919281000},"page":"1956-1970","update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Simulation results source for the identification of biological active compounds: synthesis, antimicrobial evaluation and SARs of three in one heterocyclic motifs"],"prefix":"10.1007","volume":"27","author":[{"given":"N. Bakthavatchala","family":"Reddy","sequence":"first","affiliation":[]},{"given":"Grigory V.","family":"Zyryanov","sequence":"additional","affiliation":[]},{"given":"G. Mallikarjuna","family":"Reddy","sequence":"additional","affiliation":[]},{"given":"A.","family":"Balakrishna","sequence":"additional","affiliation":[]},{"given":"J. R.","family":"Garcia","sequence":"additional","affiliation":[]},{"suffix":"Jr","given":"A.","family":"Camilo","sequence":"additional","affiliation":[]},{"given":"G.","family":"Sravya","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2018,6,25]]},"reference":[{"key":"2206_CR1","first-page":"2532","volume":"44B","author":"M Amir","year":"2005","unstructured":"Amir M, Kumar S (2005) Synthesis and anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation activities of 3,5-dimethyl pyrazoles, 3-methyl pyrazol-5-ones and 3,5-disubstituted pyrazolines. Indian J Chem 44B:2532\u20132537","journal-title":"Indian J Chem"},{"key":"2206_CR2","first-page":"347","volume":"3","author":"C Azoro","year":"2002","unstructured":"Azoro C (2002) Antibacterial activity of crude extract of azudirachita indica on Salmonella typhi. World Biotechnol 3:347\u2013357","journal-title":"World Biotechnol"},{"key":"2206_CR3","doi-asserted-by":"publisher","first-page":"6208","DOI":"10.1016\/j.bmc.2012.09.013","volume":"20","author":"Y Bansal","year":"2012","unstructured":"Bansal Y, Silakari O (2012) The therapeutic journey of benzimidazoles: a review. Bioorg Med Chem 20:6208\u20136236","journal-title":"Bioorg Med Chem"},{"key":"2206_CR4","first-page":"143","volume":"5","author":"J Bishnu","year":"2009","unstructured":"Bishnu J, Sunil L, Anuja S (2009) Antibacterial property of different medicinal plants: Ocimum sanctum, Cinnamomum zeylanicum, Xanthoxylum armatum and Origanum majorana. J Sci Eng Technol 5:143\u2013150","journal-title":"J Sci Eng Technol"},{"key":"2206_CR5","doi-asserted-by":"publisher","first-page":"498","DOI":"10.1111\/j.1365-2672.1990.tb01541.x","volume":"69","author":"KT Chung","year":"1990","unstructured":"Chung KT, Thomasson WR, Wu-Yuan CD (1990) Growth inhibition of selected food-borne bacteria, particularly Listeria monocytogenes, by plant extracts. J Appl Bacteriol 69:498\u2013503","journal-title":"J Appl Bacteriol"},{"key":"2206_CR6","doi-asserted-by":"publisher","first-page":"401","DOI":"10.1016\/S0968-0896(97)10051-7","volume":"6","author":"P Conti","year":"1998","unstructured":"Conti P, Dallanoce C, Amici MD, Micheli CD, Klotz KN (1998) Synthesis of new \u03942-isoxazoline derivatives and their pharmacological characterization as \u03b2-adrenergic receptor antagonists. Bioorg Med Chem 6:401\u2013408","journal-title":"Bioorg Med Chem"},{"key":"2206_CR7","doi-asserted-by":"publisher","first-page":"1161","DOI":"10.1016\/S0968-0896(02)00654-5","volume":"11","author":"P Dallemagne","year":"2003","unstructured":"Dallemagne P, Khanh LP, Alsaidi A, Varlet I, Collot V, Paillet M, Bureau R, Rault S (2003) Synthesis and biological evaluation of five-membered heterocycles fused to cyclopenta [c] thiophene as new antitumor agents. Bioorg Med Chem 11:1161\u20131167","journal-title":"Bioorg Med Chem"},{"key":"2206_CR8","doi-asserted-by":"publisher","first-page":"499","DOI":"10.1016\/S0223-5234(00)00150-1","volume":"35","author":"G Dannahardt","year":"2000","unstructured":"Dannahardt G, Kiefer W, Kramer G, Maehrlein S, Nowe U, Fiebich B (2000) The pyrrole moiety as a template for COX-1\/COX-2 inhibitors. Eur J Med Chem 35:499\u2013510","journal-title":"Eur J Med Chem"},{"key":"2206_CR9","doi-asserted-by":"publisher","first-page":"43","DOI":"10.1146\/annurev.py.24.090186.000355","volume":"24","author":"LC Davidse","year":"1985","unstructured":"Davidse LC (1985) Benzimidazole fungicides: mechanism of action and biological impact. Annu Rev Phytopathol 24:43\u201365","journal-title":"Annu Rev Phytopathol"},{"key":"2206_CR10","doi-asserted-by":"publisher","first-page":"1107","DOI":"10.1093\/jac\/dkl393","volume":"58","author":"GL French","year":"2006","unstructured":"French GL (2006) Bactericidal agents in the treatment of MRSA infections-the potential role of daptomycin. J Antimicrob Chemother 58:1107\u20131117","journal-title":"J Antimicrob Chemother"},{"key":"2206_CR11","doi-asserted-by":"publisher","first-page":"1167","DOI":"10.1016\/B978-044451719-7\/50084-6","volume-title":"Theory and applications of computational chemistry","author":"MS Gordon","year":"2005","unstructured":"Gordon MS, Schmidt MW (2005) Chapter 41-Advances in electronic structure theory: GAMESS a decade later. In: Dykstra CE, Frenking G, Kim KS, Scuseria GE (eds) Theory and applications of computational chemistry. Elsevier, Amsterdam, p 1167\u20131189"},{"key":"2206_CR12","doi-asserted-by":"publisher","first-page":"359","DOI":"10.1016\/S0223-5234(00)00117-3","volume":"35","author":"A Gursoy","year":"2000","unstructured":"Gursoy A, Demirayak S, Capan G, Erol K, Vural K (2000) Synthesis and preliminary evaluation of new 5-pyrazolinone derivatives as analgesic agents. Eur J Med Chem 35:359\u2013364","journal-title":"Eur J Med Chem"},{"key":"2206_CR13","doi-asserted-by":"publisher","first-page":"1296","DOI":"10.1016\/j.bmcl.2017.01.028","volume":"27","author":"W Gu","year":"2017","unstructured":"Gu W, Miao TT, Hua DW, Jin XY, Tao XB, Huang CB, Wang SF (2017) Synthesis and in vitro cytotoxic evaluation of new 1H-benzo[d]imidazole derivatives of dehydroabietic acid. Bioorg Med Chem Lett 27:1296\u20131300","journal-title":"Bioorg Med Chem Lett"},{"key":"2206_CR14","doi-asserted-by":"publisher","first-page":"595","DOI":"10.1002\/anie.200802915","volume":"48","author":"G Hagelueken","year":"2008","unstructured":"Hagelueken G, Albrecht SC, Steinmetz H, Jansen R, Heinz DW, Kalesse M (2008) The absolute configuration of rhizopodin and its inhibition of actin polymerization by dimerization. Angew Chem Int Ed 48:595\u2013598","journal-title":"Angew Chem Int Ed"},{"key":"2206_CR15","doi-asserted-by":"publisher","first-page":"764","DOI":"10.1016\/j.saa.2014.06.145","volume":"135","author":"MH Helal","year":"2015","unstructured":"Helal MH, El-Awdan SA, Salem MA, Abd-elaziz TA, Moahamed YA, El-Sherif AA, Mohamed GA (2015) Synthesis, biological evaluation and molecular modeling of novel series of pyridine derivatives as anticancer, anti-inflammatory and analgesic agents. Spectrochim Acta Part A: Mol Spectrosc 135:764\u2013773","journal-title":"Spectrochim Acta Part A: Mol Spectrosc"},{"key":"2206_CR16","first-page":"107","volume":"21","author":"D Janovska","year":"2003","unstructured":"Janovska D, Kubikova K, Kokoska L (2003) Screening for antimicrobial activity of some medicinal plants species of traditional Chinese medicine. J Food Sci 21:107\u2013110","journal-title":"J Food Sci"},{"key":"2206_CR17","doi-asserted-by":"publisher","first-page":"320","DOI":"10.1021\/np400877r","volume":"77","author":"R Jansen","year":"2014","unstructured":"Jansen R, Sood S, Huch V, Kunze B, Stadler M, Rolf Muller RP (2014) Metabolites from the Myxobacteria Nannocystis pusilla and N. exedens, are unusual chlorinated pyrone-oxazole-pyrroles. J Nat Prod 77:320\u2013326","journal-title":"J Nat Prod"},{"key":"2206_CR18","doi-asserted-by":"publisher","first-page":"1027","DOI":"10.1021\/cr950202r","volume":"3","author":"M Karelson","year":"1996","unstructured":"Karelson M, Lobanov VS, Katritzky AR (1996) Quantum-chemical descriptors in qsar\/qspr studies. Chem Rev 3:1027\u20131044","journal-title":"Chem Rev"},{"key":"2206_CR19","doi-asserted-by":"publisher","first-page":"48","DOI":"10.1007\/s004320000180","volume":"127","author":"R Kath","year":"2001","unstructured":"Kath R, Blumenstengel K, Fricke HJ, Hoffken K (2001) Bendamustine monotherapy in advanced and refractory chronic lymphocytic leukemia. J Cancer Res Clin Oncol 127:48\u201354","journal-title":"J Cancer Res Clin Oncol"},{"key":"2206_CR20","doi-asserted-by":"publisher","first-page":"7055","DOI":"10.1016\/j.bmc.2008.05.014","volume":"16","author":"AR Katritzky","year":"2008","unstructured":"Katritzky AR, Slavov SH, Dobchev DA, Karelson M (2008) QSAR modeling of the antifungal activity against Candida albicans for a diverse set of organic compounds. Bioorg Med Chem 16:7055\u20137069","journal-title":"Bioorg Med Chem"},{"key":"2206_CR21","doi-asserted-by":"publisher","first-page":"4020","DOI":"10.1016\/j.bmcl.2016.06.084","volume":"26","author":"I Khan","year":"2016","unstructured":"Khan I, Tantray MA, Hamid H, Alam MS, Kalam A, Dhulap A (2016) Synthesis of benzimidazole based thiadiazole and carbohydrazide conjugates as glycogen synthase kinase-3\u03b2 inhibitors with anti-depressant activity. Bioorg Med Chem Lett 26:4020\u20134024","journal-title":"Bioorg Med Chem Lett"},{"key":"2206_CR22","doi-asserted-by":"publisher","first-page":"7596","DOI":"10.1021\/acs.jmedchem.5b01263","volume":"58","author":"MK Kim","year":"2015","unstructured":"Kim MK, Shin H, Park KS, Kim H, Park J, Kim K, Nam J, Choo H, Chong Y (2015) Benzimidazole derivatives as potent jak1-selective inhibitors. J Med Chem 58:7596\u20137602","journal-title":"J Med Chem"},{"key":"2206_CR23","first-page":"313","volume":"7","author":"DH Ko","year":"1997","unstructured":"Ko DH, Maponya MF, Khalil MA, Oriaku ET, You Z, Lee HJ (1997) New anti-inflammatory steroids:[16a, 17a-d]-3'-hydroxy-iminoformyl isoxazoline derivatives of prednisoloneand 9a-fluoroprednisolone Med Chem Res 7:313\u2013324","journal-title":"Med Chem Res"},{"key":"2206_CR24","doi-asserted-by":"publisher","first-page":"4770","DOI":"10.1002\/1521-3773(20011217)40:24<4770::AID-ANIE4770>3.0.CO;2-T","volume":"40","author":"J Li","year":"2001","unstructured":"Li J, Burgett AWG, Esser L, Amezcua C, Harran PG (2001) Total synthesis of nominal Diazonamides-Part 2: on the true structure and origin of natural isolates. Angew Chem Int Ed 40:4770\u20134773","journal-title":"Angew Chem Int Ed"},{"key":"2206_CR25","first-page":"151","volume":"14","author":"A Mishra","year":"1998","unstructured":"Mishra A, Jain SK, Asthana JG (1998) 3,5-dimethylisoxazoles were synthesized by cyclization of acetylacetones with hydroxylamine hydrochloride and screened for analgesic and antiinflammatory activities. Orient J Chem 14:151\u2013152","journal-title":"Orient J Chem"},{"key":"2206_CR26","doi-asserted-by":"publisher","first-page":"1206","DOI":"10.1016\/j.bmc.2007.06.023","volume":"15","author":"AA Mohamed","year":"2007","unstructured":"Mohamed AA, EI-Sherbiny RM (2007) Synthesis and antitumor activity of indolyl pyrimidines: marine natural product meridianin D analogues. Bioorg Med Chem 15:1206\u20131211","journal-title":"Bioorg Med Chem"},{"key":"2206_CR27","doi-asserted-by":"publisher","first-page":"491","DOI":"10.3390\/cryst5040491","volume":"5","author":"JX Mu","year":"2015","unstructured":"Mu JX, Yang MY, Sun ZH, Tan CX, Weng JQ, Wu HK, Liu XH (2015) Synthesis, crystal structure and dft studies of 8-chloro-3-((3-chlorobenzyl)thio)-[1,2,4]triazolo[4,3-a]pyridine. Crystals 5:491\u2013500","journal-title":"Crystals"},{"key":"2206_CR28","unstructured":"National Committee for Clinical Laboratory Standards (1993) Methods for dilution antimicrobial susceptibility tests for bacteria that grow aerobically, 3rd edn. Proposed standard M7-A3. NCCLS Publication, Villanova, PA"},{"key":"2206_CR29","unstructured":"National Committee for Clinical Laboratory Standards (1992) Reference method for broth dilution antifungal susceptibility testing of yeasts. Proposed standard M27-P. NCCLS, Villanova, PA"},{"key":"2206_CR30","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-012-1124-z","volume":"131","author":"T Noro","year":"2012","unstructured":"Noro T, Sekiya M, Koga T (2012) Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n=D, T, Q). Theor Chem Acc 131:1124","journal-title":"Theor Chem Acc"},{"key":"2206_CR31","doi-asserted-by":"publisher","first-page":"508","DOI":"10.1016\/j.ejmech.2016.07.062","volume":"123","author":"GM Reddy","year":"2016","unstructured":"Reddy GM, Garcia JR, Reddy VH, de Andrade AM, Camilo Jr A, Pontes Ribeiro RA, de Lazaro SR (2016) Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives. Eur J Med Chem 123:508\u2013513","journal-title":"Eur J Med Chem"},{"key":"2206_CR32","doi-asserted-by":"publisher","first-page":"790","DOI":"10.1016\/j.ejmech.2015.07.031","volume":"101","author":"TS Reddy","year":"2015","unstructured":"Reddy TS, Kulhari H, Reddy VG, Bansal V, Kamal A, Shukla R (2015) Design, synthesis and biological evaluation of 1,3-diphenyl-1H-pyrazole derivatives containing benzimidazole skeleton as potential anticancer and apoptosis inducing agents. Eur J Med Chem 101:790\u2013805","journal-title":"Eur J Med Chem"},{"key":"2206_CR33","unstructured":"Reynold JEF (ed) (1993) The extra pharmacopia, 30th edn. Pharmaceutical Press, London"},{"key":"2206_CR34","doi-asserted-by":"publisher","first-page":"846","DOI":"10.1021\/ja00264a052","volume":"108","author":"JA Rosener","year":"1986","unstructured":"Rosener JA, Scheuer PJ (1986) Ulapualide A and B, extraordinary antitumor macrolides from nudibranch eggmasses. J Am Chem Soc 108:846\u2013847","journal-title":"J Am Chem Soc"},{"key":"2206_CR35","doi-asserted-by":"publisher","first-page":"584","DOI":"10.1016\/j.ejmech.2016.07.019","volume":"122","author":"P Sharma","year":"2016","unstructured":"Sharma P, Thummuri D, Reddy TS, Senwar KR, Naidu VGM, Srinivasulu G, Bharghava SK, Shankaraiah N (2016) New (E)-1-alkyl-1H-benzo [d] imidazol-2-yl)methylene) indolin-2-ones: Synthesis, in vitro cytotoxicity evaluation and apoptosis inducing studies. Eur J Med Chem 122:584\u2013600","journal-title":"Eur J Med Chem"},{"key":"2206_CR36","doi-asserted-by":"publisher","first-page":"232","DOI":"10.1007\/BF02510042","volume":"33","author":"AA Spasov","year":"1999","unstructured":"Spasov AA, Yozhitsa IN, Bugaeva LI, Anisimova VA (1999) Benzimidazole derivatives: spectrum of pharmacological activity and toxicological properties (a review). Pharm Chem J 33:232\u2013243","journal-title":"Pharm Chem J"},{"key":"2206_CR37","doi-asserted-by":"publisher","first-page":"6215","DOI":"10.1039\/c1ob05261f","volume":"9","author":"C Verrier","year":"2011","unstructured":"Verrier C, Fiol-Petit C, Hoarau C, Marsais F (2011) DPO and POPOP carboxylate-analog sensors by sequential palladium-catalysed direct arylation of oxazole-4-carboxylates. Org Biomol Chem 9:6215\u20136218","journal-title":"Org Biomol Chem"},{"key":"2206_CR38","doi-asserted-by":"publisher","first-page":"1931","DOI":"10.2147\/OTT.S69935","volume":"8","author":"LM Wagner","year":"2015","unstructured":"Wagner LM (2015) Profile of veliparib and its potential in the treatment of solid tumors. Onco Targets Ther 8:1931\u20131939","journal-title":"Onco Targets Ther"}],"container-title":["Medicinal Chemistry Research"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s00044-018-2206-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00044-018-2206-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s00044-018-2206-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,2,17]],"date-time":"2020-02-17T16:36:35Z","timestamp":1581957395000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s00044-018-2206-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,6,25]]},"references-count":38,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2018,8]]}},"alternative-id":["2206"],"URL":"https:\/\/doi.org\/10.1007\/s00044-018-2206-9","relation":{},"ISSN":["1054-2523","1554-8120"],"issn-type":[{"value":"1054-2523","type":"print"},{"value":"1554-8120","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,6,25]]},"assertion":[{"value":"22 March 2018","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 June 2018","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"25 June 2018","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Compliance with ethical standards"}},{"value":"The authors declare that they have no conflict of interest.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}}]}}