{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T09:15:36Z","timestamp":1777454136044,"version":"3.51.4"},"reference-count":19,"publisher":"SAGE Publications","license":[{"start":{"date-parts":[[2023,1,1]],"date-time":"2023-01-01T00:00:00Z","timestamp":1672531200000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"content-domain":{"domain":["journals.sagepub.com"],"crossmark-restriction":true},"short-container-title":["Bioinform Biol Insights"],"published-print":{"date-parts":[[2023,1]]},"abstract":"<jats:sec>\n                    <jats:title>Aim:<\/jats:title>\n                    <jats:p>Antibiotics treat various diseases by targeting microorganisms by killing them or reducing their multiplication rate. New Delhi Metallo-beta-lactamase-1 (NDM-1) is produced by bacteria possessing the resistance gene blaNDM-1, the enzyme that makes bacteria resistant to beta-lactams. Bacteriophages, especially Lactococcus, have shown their ability to break down lactams. Hence, the current study computationally evaluated the binding potential of Lactococcus bacteriophages with NDM using Molecular docking and dynamics.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods:<\/jats:title>\n                    <jats:p>Modelling of NDM I-TASSER for Main tail protein gp19 OS=Lactococcus phage LL-H or Lactobacillus delbrueckii subsp. lactis after downloading from UNIPROT ID- Q38344. Cluspro tool helps in Understanding cellular function and organization with protein-protein interactions. MD simulations(19) typically compute atom movements over time. Simulations were used to predict the ligand binding status in the physiological environment.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results:<\/jats:title>\n                    <jats:p>The best binding affinity score was found -1040.6 Kcal\/mol compared to other docking scores. MD simulations show in RMSD values for target remains within 1.0 Angstrom, which is acceptable. The ligand-protein fit to receptor protein RMSD values of 2.752 fluctuates within 1.5 Angstrom after equilibration.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusions:<\/jats:title>\n                    <jats:p>Lactococcus bacteriophages showed a strong affinity to the NDM. Hence, this hypothesis, supported by evidence from a computational approach, will solve this life-threatening superbug problem.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1177\/11779322231182767","type":"journal-article","created":{"date-parts":[[2023,6,24]],"date-time":"2023-06-24T07:52:54Z","timestamp":1687593174000},"update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":3,"title":["Indigenous Oral and Gut Phages Defeat the Deadly NDM-1 Superbug"],"prefix":"10.1177","volume":"17","author":[{"given":"Pradeep Kumar","family":"Yadalam","sequence":"first","affiliation":[{"name":"Department of Periodontics, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Raghavendra Vamsi","family":"Anegundi","sequence":"additional","affiliation":[{"name":"Department of Periodontics, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ramya","family":"Ramadoss","sequence":"additional","affiliation":[{"name":"Department of Oral Pathology & Oral Biology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M","family":"Saravanan","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"AshokKumar","family":"Veeramuthu","sequence":"additional","affiliation":[{"name":"Centre for Transdisciplinary Research, Department of Pharmacology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Artak","family":"Heboyan","sequence":"additional","affiliation":[{"name":"Department of Prosthodontics, Faculty of Stomatology, Mkhitar Heratsi Yerevan State Medical University, Yerevan, Armenia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"179","published-online":{"date-parts":[[2023,6,23]]},"reference":[{"key":"bibr1-11779322231182767","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(21)02724-0"},{"key":"bibr2-11779322231182767","volume-title":"Beta Lactam Antibiotics","author":"Pandey 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