{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,5,13]],"date-time":"2025-05-13T22:59:50Z","timestamp":1747177190040,"version":"3.40.5"},"reference-count":60,"publisher":"Informa UK Limited","issue":"24","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2023,12,29]]},"DOI":"10.1080\/07391102.2023.2191736","type":"journal-article","created":{"date-parts":[[2023,3,16]],"date-time":"2023-03-16T15:48:41Z","timestamp":1678981721000},"page":"14730-14743","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":2,"title":["Pharmacoinformatics and molecular dynamics simulation approach to identify anti-diarrheal potentials of\n            <i>Centella asiatica<\/i>\n            (L.) Urb. against\n            <i>Vibrio cholerae<\/i>"],"prefix":"10.1080","volume":"41","author":[{"given":"Abdullah","family":"Al-Mamun","sequence":"first","affiliation":[{"name":"Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0473-7803","authenticated-orcid":false,"given":"Ishtiaque","family":"Ahammad","sequence":"additional","affiliation":[{"name":"Bioinformatics Division, National Institute of Biotechnology, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sheikh Sunzid","family":"Ahmed","sequence":"additional","affiliation":[{"name":"Department of Botany, Faculty of Biological Sciences, University of Dhaka, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Farzana","family":"Akter","sequence":"additional","affiliation":[{"name":"Department of Botany, Faculty of Biological Sciences, University of Dhaka, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shah Imran","family":"Hossain","sequence":"additional","affiliation":[{"name":"Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6263-4960","authenticated-orcid":false,"given":"Zeshan Mahmud","family":"Chowdhury","sequence":"additional","affiliation":[{"name":"Bioinformatics Division, National Institute of Biotechnology, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6019-3797","authenticated-orcid":false,"given":"Arittra","family":"Bhattacharjee","sequence":"additional","affiliation":[{"name":"Bioinformatics Division, National Institute of Biotechnology, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Keshob Chandra","family":"Das","sequence":"additional","affiliation":[{"name":"Molecular Biotechnology Division, National Institute of Biotechnology, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chaman Ara","family":"Keya","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Microbiology, North South University, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Md","family":"Salimullah","sequence":"additional","affiliation":[{"name":"Molecular Biotechnology Division, National Institute of Biotechnology, Dhaka, Bangladesh"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2023,3,16]]},"reference":[{"key":"e_1_3_2_2_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1763199"},{"key":"e_1_3_2_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.toxrep.2022.12.007"},{"key":"e_1_3_2_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.micpath.2019.103928"},{"key":"e_1_3_2_5_1","unstructured":"Antibacterial and Antifungal Activities of Several Extracts of Centella asiatica L. against Some Human Pathogenic Microbes | Semantic Scholar . (n.d.). Retrieved February 9 (2023). from https:\/\/www.semanticscholar.org\/paper\/Antibacterial-and-Antifungal-Activities-of-Several-Dash-Faruquee\/89d295f1151e20d0df5fc8a08c8e7854d6efd968"},{"issue":"1","key":"e_1_3_2_6_1","first-page":"41","article-title":"An in\u00a0vitro study of the effect of Centella asiatica [Indian pennywort] on enteric pathogens","volume":"36","author":"B M.","year":"2004","unstructured":"B, M. (2004). An in\u00a0vitro study of the effect of Centella asiatica [Indian pennywort] on enteric pathogens. Indian Journal of Pharmacology, 36(1), 41.","journal-title":"Indian Journal of Pharmacology,"},{"key":"e_1_3_2_7_1","doi-asserted-by":"publisher","DOI":"10.2174\/156802605774297038"},{"key":"e_1_3_2_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.7248"},{"key":"e_1_3_2_9_1","doi-asserted-by":"publisher","DOI":"10.1128\/IAI.01435-06"},{"key":"e_1_3_2_10_1","doi-asserted-by":"publisher","DOI":"10.1128\/9781555818364.ch9"},{"key":"e_1_3_2_11_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"e_1_3_2_12_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz382"},{"key":"e_1_3_2_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201600182"},{"key":"e_1_3_2_14_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-2269-7_19"},{"issue":"16","key":"e_1_3_2_15_1","first-page":"2878","article-title":"Gastro-protecting effect of gefarnate on chronic erosive gastritis with dyspeptic symptoms","volume":"125","author":"Du Y.-Q.","year":"2012","unstructured":"Du, Y.-Q., Su, T., Hao, J.-Y., Wang, B.-M., Chen, M.-H., Li, Y.-M., Tang, C.-W., Gong, Y.-F., Man, X.-H., Gao, L., Cai, Q.-C., & Li, Z.-S. (2012). Gastro-protecting effect of gefarnate on chronic erosive gastritis with dyspeptic symptoms. Chinese Medical Journal, 125(16), 2878\u20132884.","journal-title":"Chinese Medical Journal,"},{"key":"e_1_3_2_16_1","doi-asserted-by":"publisher","DOI":"10.1155\/2018\/3924608"},{"key":"e_1_3_2_17_1","doi-asserted-by":"publisher","DOI":"10.1128\/MMBR.62.4.1301-1314.1998"},{"key":"e_1_3_2_18_1","doi-asserted-by":"publisher","DOI":"10.3201\/eid0909.020443"},{"key":"e_1_3_2_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiolchem.2015.02.011"},{"key":"e_1_3_2_20_1","doi-asserted-by":"publisher","DOI":"10.4103\/0250-474X.78519"},{"key":"e_1_3_2_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/elps.200900140"},{"key":"e_1_3_2_22_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-17"},{"key":"e_1_3_2_23_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1708-8305.2012.00607.x"},{"key":"e_1_3_2_24_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.6b00555"},{"key":"e_1_3_2_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijantimicag.2008.05.003"},{"key":"e_1_3_2_26_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40203-018-0044-6"},{"key":"e_1_3_2_27_1","first-page":"129","article-title":"Fabrication of g-C3N4 nanosheets reinforced with myricetin functionalized AgNPs for its potential bactericidal effect","volume":"11","author":"Karuvantevida N.","year":"2022","unstructured":"Karuvantevida, N., Gnanasekar, S., Iratni, R., & Sivaramakrishnan, S. (2022). Fabrication of g-C3N4 nanosheets reinforced with myricetin functionalized AgNPs for its potential bactericidal effect. Bulletin of Environment, Pharmacology and Life Sciences, 11, 129\u2013136.","journal-title":"Bulletin of Environment, Pharmacology and Life Sciences"},{"key":"e_1_3_2_28_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0140-6736(96)01180-4"},{"key":"e_1_3_2_29_1","doi-asserted-by":"publisher","DOI":"10.1046\/j.1365-2958.2000.02111.x"},{"key":"e_1_3_2_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiph.2011.09.007"},{"key":"e_1_3_2_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/0140-6736(93)92811-7"},{"key":"e_1_3_2_32_1","doi-asserted-by":"publisher","DOI":"10.1155\/2022\/8217380"},{"key":"e_1_3_2_33_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2004.11.007"},{"key":"e_1_3_2_34_1","doi-asserted-by":"publisher","DOI":"10.1517\/17425255.2015.980814"},{"key":"e_1_3_2_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijpddr.2017.05.003"},{"key":"e_1_3_2_36_1","doi-asserted-by":"publisher","DOI":"10.1017\/S0950268806007254"},{"key":"e_1_3_2_37_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0012029"},{"key":"e_1_3_2_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00104"},{"key":"e_1_3_2_39_1","doi-asserted-by":"publisher","DOI":"10.5772\/37635"},{"key":"e_1_3_2_40_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2122568"},{"key":"e_1_3_2_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/0140-6736(93)90480-5"},{"key":"e_1_3_2_42_1","doi-asserted-by":"publisher","DOI":"10.3201\/eid1910.130626"},{"key":"e_1_3_2_43_1","doi-asserted-by":"publisher","DOI":"10.1099\/jmm.0.049635-0"},{"key":"e_1_3_2_44_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.taap.2019.114617"},{"key":"e_1_3_2_45_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1000"},{"key":"e_1_3_2_46_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-323-85730-7.00023-0"},{"issue":"08","key":"e_1_3_2_47_1","first-page":"6418","article-title":"Identification of natural lead molecules of Centella asiatica and Azadirachta indica targeting cholera toxin through structure based drug design","volume":"6","author":"Sarma K.","year":"2016","unstructured":"Sarma, K., Borkakoty, B., Parida, P., Bora, S., Mohapatra, P., Biswas, D., & Mahanta, J. (2016). Identification of natural lead molecules of Centella asiatica and Azadirachta indica targeting cholera toxin through structure based drug design. Indo American Journal of Pharmaceutical Research, 6(08), 6418\u20136429.","journal-title":"Indo American Journal of Pharmaceutical Research"},{"key":"e_1_3_2_48_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jtusci.2016.02.006"},{"key":"e_1_3_2_49_1","first-page":"4","volume-title":"Functional properties of Centella asiatica (L.): A reviEw","author":"Seevaratnam V.","year":"2012","unstructured":"Seevaratnam, V., Banumathi, P., Premalatha, M. R., Sundaram, S., & Arumugam, T. (2012). Functional properties of Centella asiatica (L.): A reviEw. 4."},{"key":"e_1_3_2_50_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1802335"},{"key":"e_1_3_2_51_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.amsu.2022.104936"},{"key":"e_1_3_2_52_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12906-020-03033-z"},{"key":"e_1_3_2_53_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4757-9688-9_6"},{"key":"e_1_3_2_54_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_3_2_55_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2021.113930"},{"issue":"5","key":"e_1_3_2_56_1","first-page":"471","article-title":"Molecular modeling and docking studies of glutamate racemase in Vibrio vulnificus CMCP6","volume":"8","author":"Vidya N.","year":"2008","unstructured":"Vidya, N., Vadivukkarasi, B., Manivannan, G., & Anbarasu, K. (2008). Molecular modeling and docking studies of glutamate racemase in Vibrio vulnificus CMCP6. In Silico Biology, 8(5\u20136), 471\u2013483.","journal-title":"In Silico Biology,"},{"key":"e_1_3_2_57_1","first-page":"433","article-title":"The role of hydrogen-bonds in drug binding","volume":"289","author":"Wade R. C.","year":"1989","unstructured":"Wade, R. C., & Goodford, P. J. (1989). The role of hydrogen-bonds in drug binding. Progress in Clinical and Biological Research, 289, 433\u2013444.","journal-title":"Progress in Clinical and Biological Research"},{"key":"e_1_3_2_58_1","doi-asserted-by":"publisher","DOI":"10.4314\/ajb.v7i13.58974"},{"key":"e_1_3_2_59_1","doi-asserted-by":"publisher","DOI":"10.1086\/644779"},{"key":"e_1_3_2_60_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13756-022-01100-3"},{"key":"e_1_3_2_61_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1473-3099(07)70138-X"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2191736","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,12,18]],"date-time":"2023-12-18T08:52:43Z","timestamp":1702889563000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2191736"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,16]]},"references-count":60,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2023,12,29]]}},"alternative-id":["10.1080\/07391102.2023.2191736"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2191736","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"type":"print","value":"0739-1102"},{"type":"electronic","value":"1538-0254"}],"subject":[],"published":{"date-parts":[[2023,3,16]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2022-12-13","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-03-07","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-03-16","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}