{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,3]],"date-time":"2026-10-03T15:09:58Z","timestamp":1791040198764,"version":"4.1.0"},"reference-count":41,"publisher":"Wiley","license":[{"start":{"date-parts":[[2013,1,1]],"date-time":"2013-01-01T00:00:00Z","timestamp":1356998400000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["BioMed Research International"],"published-print":{"date-parts":[[2013]]},"abstract":"<jats:p>In our presented research, we made an attempt to predict the 3D model for cysteine synthase (<jats:bold>A2GMG5_TRIVA<\/jats:bold>) using homology-modeling approaches. To investigate deeper into the predicted structure, we further performed a molecular dynamics simulation for 10\u2009ns and calculated several supporting analysis for structural properties such as RMSF, radius of gyration, and the total energy calculation to support the predicted structured model of cysteine synthase. The present findings led us to conclude that the proposed model is stereochemically stable. The overall PROCHECK G factor for the homology-modeled structure was \u22120.04. On the basis of the virtual screening for cysteine synthase against the NCI subset II molecule, we present the molecule 1-N, 4-N-bis [3-(1H-benzimidazol-2-yl) phenyl] benzene-1,4-dicarboxamide (<jats:bold>ZINC01690699<\/jats:bold>) having the minimum energy score (\u221213.0\u2009Kcal\/Mol) and a log\u2009<jats:italic>P<\/jats:italic>value of 6 as a potential inhibitory molecule used to inhibit the growth of<jats:italic>T. vaginalis<\/jats:italic>infection.<\/jats:p>","DOI":"10.1155\/2013\/390920","type":"journal-article","created":{"date-parts":[[2013,9,1]],"date-time":"2013-09-01T17:00:44Z","timestamp":1378054844000},"page":"1-15","source":"Crossref","is-referenced-by-count":19,"title":["Molecular Dynamic Simulation and Inhibitor Prediction of Cysteine Synthase Structured Model as a Potential Drug Target for Trichomoniasis"],"prefix":"10.1155","volume":"2013","author":[{"given":"Satendra","family":"Singh","sequence":"first","affiliation":[{"name":"Department of Computational Biology 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