Vol. 63 No. 3: March 2026

Published: 2026-02-17

Contents

Contents

CSIR NIScPR

239-240
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Review

Computational modeling for predicting the drug metabolism: A novel approach for developing new drugs and to predict drug interactions

KRS Sambasiva Rao, T Bhanuteja, TE Gopalakrishna Murthy, B Sudheer Chowdary

241-252
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DOI: https://doi.org/10.56042/ijbb.v63i3.22848

Papers

DFT-Based Analysis of 2, 3-dimethyl-2-(3-oxobutyl)-cyclohexanone: Structural, Electronic, Vibrational, and Molecular docking studies for potential anti-cancer applications

Reavathi G, Rajesh P, Dhanalakshmi E, Kayashrini S, Lawrence M, Prabhaharan M, Arularasan P

253-266
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DOI: https://doi.org/10.56042/ijbb.v63i3.18045
Exploring therapeutic potential of repurposed drugs in chagas disease: An integrated network pharmacology and molecular docking approach

Sai Harini S, Shyamala S, Sabishruthi S

267-279
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DOI: https://doi.org/10.56042/ijbb.v63i3.18453
Gut-brain axis modulation of Prosopis juliflora pods: Integrated in silico and in vivo approach for neuroprotective and gut restorative therapeutics

Preyenga R, A Anita Margret, R Gayathri, Sujidha S, Lokeshwaran S

280-287
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DOI: https://doi.org/10.56042/ijbb.v63i3.18870
A novel in silico approach for identifying defense-related biomarkers from Neurospora crassa during plant associations to understand pathogenicity mechanisms

Vaishnavi SL, Rashmi Hosamani, Sharathchandra RG, Santosh Kumar HS, Chandrashekar CR

288-296
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DOI: https://doi.org/10.56042/ijbb.v63i3.18676
Generating an efficient BACE1 inhibitor for the treatment of Alzheimer’s disease based on AI-powered ADMET analysis, Molecular docking and Molecular dynamics studies

Latha V, Gomathi V, Hari Ram S, Vidhyavathi RM, Prabhu D

297-310
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DOI: https://doi.org/10.56042/ijbb.v63i3.18521
Repurposing of statins: An in silico approach aimed at inflammation resolution pathways

Jaikanth CM, Ramasamy Thangamalai, Ramesh Srinivasan, Chandrasekar M, Manoharan Parthiban, Jalantha P, Raja Paramasivam, Jayanthi M, Akshay Durga Prasad M, Mythrayee R

311-320
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DOI: https://doi.org/10.56042/ijbb.v63i3.19692
Targeting neuroinflammation: Anti-alzheimer’s mechanism of Cassia fistula via in silico approaches

Sai Kiran, Wurood A Shihab, Ammar A Razzak Mahmood, Shaik Sadik, Sreeharsha Nagaraja, Mohammed Monirul Islam, Bipindra Pandey, MK Mohan Maruga Raja , Shankar Thapa

321-340
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DOI: https://doi.org/10.56042/ijbb.v63i3.20526
The Impact of genistein on oxidative stress biomarkers in erythrocytes: A study in IPD patients

Nikhila Khola, Kareena Moar, Surekha Dabla, Pawan Kumar Maurya

341-350
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DOI: https://doi.org/10.56042/ijbb.v63i3.24769
In silico investigation on the effect of p27 phosphorylation in regulating Cdk2/CyclinA complex

Khyati Goswami, Prerana Kalita, Trishna Deka, Venkata Satish Kumar Mattaparthi

351-359
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DOI: https://doi.org/10.56042/ijbb.v63i3.18451