Pratip Rana

Protiva Das, Sovon Chakraborty, Sidhant Narula et al.

The rapid advancement of Large Language Models (LLMs) in biological research has significantly lowered the barrier to accessing complex bioinformatics knowledge, ex perimental design strategies, and analytical workflows. While these capabilities accelerate innovation, they also introduce serious dual-use risks, as Bio-LLMs can be exploited to generate harmful biological insights under the guise of legitimate research queries. Existing safeguards, such as static prompt filtering and policy-based restrictions, are insufficient when LLMs are embedded within dynamic biological workflows and application-layer systems. In this paper, we present BioShield, a context-aware application-level firewall designed to secure Bio LLMs against dual-use attacks. At the core of BioShield is a domain-specific prompt scanner that performs contextual risk analysis of incoming queries. The scanner leverages a harmful scoring mechanism tailored to biological dual-use threat cat egories to identify prompts that attempt to conceal malicious intent within seemingly benign research requests. Queries ex ceeding a predefined risk threshold are blocked before reaching the model, effectively preventing unsafe knowledge generation at the source. In addition to pre-generation protection, BioShield deploys a post-generation output verification module that inspects model responses for actionable or weaponizable biological content. If an unsafe response is detected, the system triggers controlled regeneration under strengthened safety constraints. By combining contextual prompt scanning with response-level validation, BioShield provides a layered defense framework specifically designed for bio-domain LLM deployments. Our framework advances cyberbiosecurity by formalizing dual-use threat detection in Bio-LLMs and proposing a structured mitigation strategy for secure, responsible AI driven biological research.

Kusal Debnath, Pratip Rana, Preetam Ghosh

Drug-target affinity (DTA) prediction is a critical aspect of drug discovery. The meaningful representation of drugs and targets is crucial for accurate prediction. Using 1D string-based representations for drugs and targets is a common approach that has demonstrated good results in drug-target affinity prediction. However, these approach lacks information on the relative position of the atoms and bonds. To address this limitation, graph-based representations have been used to some extent. However, solely considering the structural aspect of drugs and targets may be insufficient for accurate DTA prediction. Integrating the functional aspect of these drugs at the genetic level can enhance the prediction capability of the models. To fill this gap, we propose GramSeq-DTA, which integrates chemical perturbation information with the structural information of drugs and targets. We applied a Grammar Variational Autoencoder (GVAE) for drug feature extraction and utilized two different approaches for protein feature extraction: Convolutional Neural Network (CNN) and Recurrent Neural Network (RNN). The chemical perturbation data is obtained from the L1000 project, which provides information on the upregulation and downregulation of genes caused by selected drugs. This chemical perturbation information is processed, and a compact dataset is prepared, serving as the functional feature set of the drugs. By integrating the drug, gene, and target features in the model, our approach outperforms the current state-of-the-art DTA prediction models when validated on widely used DTA datasets (BindingDB, Davis, and KIBA). This work provides a novel and practical approach to DTA prediction by merging the structural and functional aspects of biological entities, and it encourages further research in multi-modal DTA prediction.