5 results for "Radul R. Dev"

Computational QSAR and structure-based identification of plerixafor-derived PIM-1 kinase inhibitors in diffuse large B-Cell lymphoma

Amritha Thaikkad; B. Angitha; Radul R. Dev et al.

Frontiers in Chemistry, Vol. 14 · 2026 · English · DOAJ Scopus

IntroductionDiffuse large B-cell lymphoma (DLBCL) is the most common and aggressive subtype of non-Hodgkin lymphoma, with a substantial proportion of patients developing resistance to standard chemotherapy. Chromosomal translocations resulting in overexpression of the serine/threonine kinase…

Targeting KasA: isosakuranetin derivatives as promising scaffolds for novel anti-tuberculosis agents against drug-resistant Mycobacterium tuberculosis

B. Angitha; T. Amritha; Radul R. Dev et al.

Frontiers in Bioinformatics, Vol. 6 · 2026 · English · DOAJ Scopus

IntroductionMycobacterium tuberculosis remains a major global health threat due to the rising prevalence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) strains, which limit the effectiveness of current therapies. The ß-keto-acyl carrier protein synthase (KasA), a key enzyme in…

Machine learning-based QSAR and molecular modeling of phytocompounds in Barleria buxifolia L. as a potential aldose reductase inhibitor

Radul R. Dev; Anjana C. Lalu; Sinana Zarin et al.

Frontiers in Bioinformatics, Vol. 6 · 2026 · English · DOAJ Scopus

IntroductionThe traditional medicinal plant Barleria buxifolia L is well-known for its pharmacological properties. This study aims to predict the binding affinity of bioactive compounds obtained from B. buxifolia towards significant molecular targets associated with diabetes mellitus. The polyol…

Structure-Based and AI-Assisted Identification of AGPS Inhibitors for Glioma via Integrated Docking, Molecular Dynamics, and Binding Affinity Screening

Amritha Thaikkad; Sonet Daniel Thomas; Leona Dcunha et al.

ACS Omega, Vol. 11 No. 11 · 2026 · English · DOAJ Scopus

Repurposing FDA-Approved Drugs as Hendra Virus RNA-Dependent RNA Polymerase Inhibitors: A Comprehensive Computational Drug Discovery Approach

Anjana C. Lalu; Varun Thachan Kundil; Bristow Ben Joseph et al.

Viruses, Vol. 17 No. 12 · 2025 · English · DOAJ Scopus

Hendra virus (HeV) is a highly pathogenic zoonotic paramyxovirus that poses a serious threat to human and equine health, yet no approved antivirals or vaccines currently exist. RNA-dependent RNA polymerase (RdRp) of Hendra virus represents a critical and attractive target for antiviral drug…