Large language model (LLM) agents extend generative models with planning, memory, and external tool access, but
this capability creates a security path in which untrusted content can alter instructions, hijack an agent's operational goal, and
trigger harmful tool actions. This paper proposes TRACER-AI, a four-layer explainable defense-in-depth framework that
combines (i) semantic prompt-injection detection, (ii) continuous goal-integrity monitoring, (iii) contextual tool-risk control, and
(iv) structured explainable security decisions. The framework is designed around the attack progression prompt injection -> goal
hijacking -> tool misuse rather than treating prompt filtering as the only enforcement boundary. A dynamic risk score fuses
prompt-injection probability, goal deviation, tool risk, and contextual anomaly before action execution. A controlled proof-ofconcept evaluation was conducted on a 3,500-case synthetic adversarial testbed containing benign interactions and five attack
families: direct prompt injection, indirect prompt injection, goal hijacking, tool misuse, and chained attacks. The held-out test set
comprised 1,050 cases with previously unseen attack wording and benign security-text decoys. The standalone prompt detector
achieved 0.679 accuracy, 0.575 F1-score, and 0.760 ROC-AUC, illustrating the weakness of relying on prompt detection alone
under distribution shift. In contrast, the full TRACER-AI configuration achieved a 96.4% attack detection rate, reduced attack
success rate to 3.6%, preserved 99.0% benign task success, and limited false positives to 1.0% in the controlled testbed. The
results support the central hypothesis that agent security benefits from multiple independent checkpoints spanning instruction
intake, goal continuity, and execution-time tool authorization. The study also maps the framework to contemporary agentic-AI
security guidance and benchmark research, and provides a reproducible experimental protocol for subsequent validation on
AgentDojo, InjecAgent, AgentDyn, and domain-specific agent benchmarks.
Pallavi Singh, Khushboo Gupta, Pratibha Singh· International Journal for Re...· 0 citations
This study examines seventy‐one 1,4‐naphthoquinone scaffold‐bearing compounds with known half‐maximal inhibitory concentration (IC
50
) against
Mycobacterium tuberculosis
(Mtb) using QSAR, docking, and molecular dynamics (MD) simulations. The molecular descriptors were computed using PaDEL and ChemDes to create multiple linear regression (MLR) based predictive 2D QSAR models through QSARINS v2.2.4. The statistically suitable five‐descriptor QSAR model demonstrated a correlation coefficient (
R
2
0.7136) and a cross‐validated
R
2
(
Q
2
LOO
0.6599). The model exhibited lower values for root mean squared error (RMSE
tr
0.2298) and mean absolute error (MAE
tr
0.1738), along with a higher concordance correlation coefficient (CCC 0.8329), indicating strong fitness and predictive accuracy. In silico screening of all compounds for physicochemical and medicinal chemistry parameters, followed by docking against five key Tb pathogenesis proteins using Cresset Flare 10.0.1, identified 24 leading candidates. A 200 ns MD simulation revealed good protein‐ligand complex stability of two compounds,
52
and
70
, which was further supported by MM/GBSA calculation. SAR analysis demonstrates that introducing chlorine into the quinone scaffold, in combination with highly lipophilic aryl substituents such as trifluoromethyl, significantly enhances binding affinity. Considering suitable druggability parameters, we suggest compound
70
for further research to confirm its potential as an effective anti‐TB drug.
Pallavi Singh, H. Upadhyay, Somya Maurya· ChemistrySelect· 0 citations
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