DeCure's autonomous Rare AI scientist is researching a drug-repurposing hypothesis for periodontitis — screening already-approved drugs against its 39-gene Open Targets disease module to publish open-access research. Research is fast; the path to publication is funded in milestone stages.
Disease modulePeriodontitis maps to a 39-gene Open Targets module — the target space DeCure's AI scientist screens approved drugs against.
DeCure.ai methodSignature reversal (LINCS) plus network proximity (STRING) rank already-approved drugs likely to perturb this module — the same engine that produces DeCure.ai's repurposing hypotheses.
Repurposing thesisScreening approved medicines against this disease module, then publishing the evidence for the strongest candidate. Known pharmacology and human exposure data make the first question sharper — they do not establish safety or efficacy in a new indication.
Research record
01
ResearchComing soon
Candidate research + dossier — target rationale, drug-repurposing thesis and evidence pack.proof: Published dossier + on-chain hash
02
ValidationComing soon
In-vitro biological validation at a contract research org (CRO).proof: CRO contract + in-vitro report
03
Peer review & paperComing soon
Peer-reviewed paper published open-access (preprint + journal).proof: DOI + open-access link + on-chain hash
Current lead
approvedDoxycyclineApproved drug
Structures already discussed alongside periodontitis in the retrieved literature, rendered from public PubChem SMILES. Which drugs appear here reflects the evidence found, not a ranked prediction.
Molecular view
Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline — Doxycycline has a real, experimentally solved structure in complex with this target (PDB 5OM2, 1.47 Å). This is the drug's own deposited structure, not a prediction, and confirms it is a structurally characterised molecule rather than an untested guess.
Loading structure…
helix sheet dxtdrag to rotate · scroll to zoom
RCSB Protein Data Bank · entry 5OM2 · 1.47 Å · ligand Doxycycline (DXT). Experimental structure, not a prediction.
What the evidence adds up to
The American Academy of Periodontology’s 2000 parameter states that failure to treat aggressive periodontitis can result in progressive and often rapid loss of periodontal supporting tissues, potentially leading to tooth loss. A 2023 review notes that modern periodontal therapies are effective but that without regular clinical reevaluation, plaque control, and oral hygiene instruction, the benefits of treatment are often lost and recurrent periodontitis may result. A 2025 service evaluation of 141 patients entering supportive periodontal care at Guy’s Hospital, London (mean age 45.4 years, 64.5% women, 93.6% with generalised Stage III/IV periodontitis) found that only 12.77% exhibited stable periodontitis at entry and 48.23% met the endpoints of therapy. Relative percentage changes from baseline to the end of active periodontal treatment in achieving stable periodontitis were 66.25% for all teeth, 81.75% for anterior teeth, 74.20% for premolars, and 52.40% for molars. Regression analyses showed that age and extent of disease were associated with outcomes but explained limited variance (R² ≤ 0.267).
In a 2012 rat model of experimental chronic periodontitis, systemic ornidazole plus scaling and root planing reduced sulcus bleeding index by 27.73%, plaque index by 33.20%, probing pocket depth by 48.66%, gingival crevicular fluid aspartate aminotransferase by 41.64%, and alveolar bone loss by 41.19%. Systemic and local compound ornidazole and pefloxacin mesylate plus scaling and root planing produced reductions of 33.61%, 42.80%, 55.70%, 49.03%, and 43.63% respectively. Local compound ornidazole and pefloxacin mesylate plus scaling and root planing gave the largest reductions: 58.82%, 60.00%, 72.48%, 66.42%, and 54.47%. All three treatments significantly reduced inflammation indicators (P<0.05), with the local combination being the most effective (P<0.05).
A 2014 study prepared films containing metronidazole or pentoxifylline for local periodontal pocket treatment. In vitro release showed a burst release for both drugs during the first two hours, after which the rate markedly decreased. Clinical trials on patients revealed the advantageous use of metronidazole and pentoxifylline as an adjunct treatment with traditionally used dental techniques, but no numerical clinical outcomes are reported in the abstract. A 2010 cohort study of 33 chronic periodontitis patients compared scaling and root planing with hand instruments to ultrasonic debridement plus 8.8% doxycycline gel applied at baseline and three months. Both treatments produced significant improvement in probing pocket depth, clinical attachment level, plaque index, and gingival bleeding index at three and six months. A statistically significant decrease in Porphyromonas gingivalis was seen in both groups and in Treponema denticola in the control group (P<0.05), but no inter-group differences were observed (P<0.05).
What is still missing is consistent evidence from adequately powered human trials that any drug adjunct—whether ornidazole, pefloxacin, metronidazole, pentoxifylline, or doxycycline—reliably improves the modest success rates seen in routine specialist care, where fewer than half of patients meet therapy endpoints and molars remain particularly difficult to treat. The animal data and small human studies do not provide the stratified, long-term data needed to know which patients, if any, benefit from these additions beyond mechanical debridement and maintenance.
Evidence
Retrieved by DeepSearch across 234,678,978 indexed works and resolved on OpenAlex — ranked by citations, including the results that did not work.
Journal of Periodontology · 2000 · 109 citations · open access
Parameter on Aggressive Periodontitis
AbstractThe American Academy of Periodontology has developed the following parameter on the treatment of aggressive periodontitis. Patients should be informed of the disease process, therapeutic alternatives, potential complications, expected results, and their responsibility in treatment. Consequences of no treatment should be explained. Failure to treat aggressive periodontitis appropriately can result in progressive and often rapid loss of periodontal supporting tissues. This may have an adverse effect upon prognosis and could result in tooth loss. Given this information, patients (or their parents or guardians, as appropriate) should then be able to make informed decisions regarding their periodontal therapy. J Periodontol 2000;71:867-869.
Medical Science Monitor · 2012 · 45 citations · open access
Effects of systemic ornidazole, systemic and local compound ornidazole and pefloxacin mesylate on experimental periodontitis in rats
AbstractBACKGROUND: The purpose of the current study is to evaluate the effects of systemic ornidazole (SO) and systemic and local compound ornidazole and pefloxacin mesylate (SCOPM/LCOMP) on the inflammatory response associated with rat experimental chronic periodontitis (ECP) in sites with subgingival debridement. MATERIAL/METHODS: Periodontitis was induced in male Sprague-Dawley rats by placing a thin steel ligature around the upper first molars and inoculating them with Porphyromonas gingivalis 381. After the successful induction of the rat ECP, the periodontitis rats were randomly divided into 3 different combined treatment groups: (A) SO with scaling and root planing (SRP); (B) SCOMP with SRP; and (C) LCOMP with SRP. After 2 weeks the effects of the treatments were evaluated based on gingivitis, plaque index, probing pocket depth, aspartate aminotransferase, alveolar bone loss, and hematoxylin-eosin staining of the region around the first molars. RESULTS: After treatment, comparison with ECP was performed. The mean percentage reductions of SBI in SO, SCOPM, and LCOPM were 27.73%, 33.61%, and 58.82%, respectively. Those of PI were 33.20%, 42.80%, and 60.00%; those of PPD were 48.66%, 55.70%, and 72.48%; those of GCF-AST were 41.64%, 49.03%, and 66.42%; and those of ABL were 41.19%, 43.63%, and 54.47%, respectively. The inflammatory score of H&E showed median scores of 2.5, 1.75, 1.63, and 0.95 for ECP, SO, SCOMP, and LCOMP, respectively. All 3 treatment groups exhibited significantly reduced inflammation indicators (P<0.05). Of the 3, group C was the most effective (P<0.05). CONCLUSIONS: Although all the combined treatment groups responded to therapy with significant resolution of the infection, adjunctive LCOMP therapy is more effective for periodontitis.
Expert Opinion on Drug Delivery · 2014 · 23 citations
Metronidazole and Pentoxifylline films for the local treatment of chronic periodontal pockets: preparation,<i>in vitro</i>evaluation and clinical assessment
AbstractOBJECTIVE: Periodontitis is one of the most important chronic inflammatory dental diseases arising from the destructive actions caused by a variety of pathogenic organisms presented in the oral cavity. The aim of this study is the preparation and in vitro evaluation of films for the local treatment of periodontal pockets. METHODS: The prepared films contained either metronidazole (Mtr), for its antimicrobial effect in periodontal diseases, using a mixture of polymers namely hydroxypropyl methyl cellulose, Carbopol 934 or locally applied Pentoxifylline (PTX), for its anti-inflammatory activity, using chitosan. All films were prepared using solvent casting technique and were evaluated for their physical characteristics, drug content uniformity, surface pH, swelling behavior, mechanical properties and in vitro release. Further characterization was done on the selected formulations using differential scanning calorimetry and scanning electron microscopy for surface structure. Clinical evaluation tests were also performed. RESULT: Appropriate physical characteristics and mechanical properties for most formulations and their suitability for periodontal application were observed. In vitro drug release from most films showed a burst release rate for both Mtr and PTX during the first 2 h after which the release rate was markedly decreased. Clinical trials on patients revealed the advantageous use of Mtr and PTX as an adjunct treatment with traditionally used dental techniques. CONCLUSION: The effectiveness of the co-therapy of either drug could add benefit in the eradication of chronic periodontal hazards.
Journal of Oral and Maxillofacial Research · 2010 · 10 citations · open access
The Effect of Locally Delivered Doxycycline in the Treatment of Chronic Periodontitis. A Clinical and Microbiological Cohort Study
AbstractOBJECTIVES: To evaluate the efficacy of locally delivered doxycycline as an adjunct to non-surgical treatment with the use of an ultrasonic device compared to scaling and root planing using hand instruments, by means of clinical and microbiological criteria. MATERIAL AND METHODS: Thirty three patients with chronic periodontitis participated in this cohort study and were divided into two groups. Patients in control group received scaling and root planing using hand instruments, whereas patients in control group received ultrasonic debridement and 8.8% doxycycline gel was applied after initial therapy and at 3 months at preselected sites. Clinical recordings concerning probing pocket depth, clinical attachment level, plaque index and gingival bleeding index were performed at baseline, 3 and 6 months after baseline. Subgingival samples were analysed using the "checkerboard" DNA-DNA hybridisation technique for Porphyromonas gingivalis, Tannerella forsythia and Treponema denticola. RESULTS: Both treatments resulted in significant improvement in all clinical recordings. Six months after the treatment a statistically significant decrease was observed for Porphyromonas gingivalis in both of groups and Treponema denticola in the control group (P < 0.05). No inter-group differences were observed (P < 0.05). CONCLUSIONS: Both treatment modalities provided comparable clinical and microbiological results in the treatment of chronic periodontitis.
The International Journal of Periodontics & Restorative Dentistry · 2025 · 1 citations
Prevalence of Stable and Successfully Treated Periodontitis Subjects—A Service Evaluation of a Single Hospital Centre
AbstractThis evaluation aimed to identify the prevalence of meeting the endpoints for (1) stable periodontitis (defined as: probing pocket depth [PPD] ≤ 4 mm, bleeding on probing [BoP] < 10%, and no BoP at 4-mm PPD sites), (2) endpoints of therapy (no PPD > 4 mm with BoP, PPD ≥ 6 mm), (3) controlled periodontitis (≤ 4 sites with PPD ≥ 5 mm), (4) PPD < 5 mm, and (5) PPD < 6 mm at the start of supportive periodontal care (SPC). The evaluation also aimed to identify any variables that may affect the achievement of meeting the endpoints. Consecutive patients entering SPC between 2020 and 2022 at Guy's Hospital, London, were assessed. The collected data included periodontal parameters (PPD and full-mouth bleeding and plaque scores) at both baseline and the final active periodontal treatment (APT) visit and were analyzed using SPSS 29.0 for descriptive and quantitative statistics. Logistic regressions utilized univariate and multivarite models to examine associations between clinical variables and outcomes. A total of 141 subjects were included (mean age: 45.4 ± 1.1 years; 64.5% women; 58.9% Caucasian). Most subjects (93.6%) had generalized Stage III/IV periodontitis. At SPC entry, 12.77% of subjects exhibited stable periodontitis, and 48.23% met the endpoints of therapy. Relative percentage changes from baseline to the end of APT in achieving stable periodontitis/endpoints of therapy in teeth were as follows: all teeth (66.25%/90.97%), anterior teeth (81.75%/97.12%), premolars (74.20%/94.69%), and molars (52.40%/86.01%). Regression analyses confirmed associations between age and extent of disease with endpoints but explained limited variance (R2 ≤ 0.267). Periodontal treatment significantly improved clinical parameters at site and tooth levels, though molars demonstrated lower endpoint achievement, highlighting localized treatment challenges. Age and extent of disease influenced outcomes, but predictor variables explained only modest variance, highlighting the complexity of achieving therapeutic success in periodontitis management.
Strategies to Manage Failures in Periodontal Therapy- A Review
AbstractModern periodontal therapies are effective in maintaining a healthy natural dentition as well as controlling periodontal disease.Numerous treatment strategies and various techniques have been designed and described to treat periodontal disease.Most of these procedures had drawbacks which were identified, leading to the modifications of the original techniques which lead to better treatment options, but still very less emphasis has been laid on failures.Without a regular program of clinical reevaluation, plaque control, oral hygiene instructions, and reassessment of biomechanical factors the benefits of treatment are often lost and inflammatory disease in the form of recurrent periodontitis may result.So this review describes the most common failures noticed in periodontal therapies and also discusses the possible solutions to reduce the incidence of failures in periodontal therapy.
Disease module: DeepOracle (Open Targets). Structures: RDKit from PubChem SMILES. Literature: retrieved by DeepSearch across 234,678,978 indexed works (targeted per-candidate search), resolved on OpenAlex.
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