Biocentric.ai empowers pharmaceutical innovation by harnessing AI to streamline drug discovery and accelerate breakthroughs that save lives.

Our interdisciplinary team combines AI expertise, computational biology, and biophysical insights to generate transformative therapeutic solutions. We are committed to addressing the inefficiencies in traditional drug discovery, delivering better drugs faster, and improving patient outcomes.

Scientific Publications

Case Studies

A new microtubule-stabilizing agent shows potent antiviral effects against African swine fever virus with no cytotoxicity

JOURNAL: Emerging Microbes & Infections (Volume 10, 2021 – Issue 1)
Published: 25 Apr 2021

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Strawberry and Ginger Silver Nanoparticles as Potential Inhibitors for SARS-CoV-2 Assisted by In Silico Modeling and Metabolic Profiling

JOURNAL: Antibiotics
Published: 6 July 2021

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Targeting 3CLpro and SARS-CoV-2 RdRp by Amphimedon sp. Metabolites: A Computational Study

JOURNAL: Molecules
Published: 21 June 2021

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A New CDK2 Inhibitor with 3-Hydrazonoindolin-2-One Scaffold Endowed with Anti-Breast Cancer Activity: Design, Synthesis, Biological Evaluation, and In Silico Insights

JOURNAL: Molecules
Published: 14 January 2021

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AED-Net: A Single Image Dehazing

JOURNAL: IEEE Access
Published: 18 January 2022

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Design, Synthesis and Anticancer Profile of New 4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-amine-Linked Sulfonamide Derivatives with V600EBRAF Inhibitory Effect

JOURNAL: International Journal of Molecular Sciences (Volume 22)
Published: 128 September, 2021

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Combination of consensus and ensemble docking strategies for the discovery of human dihydroorotate dehydrogenase inhibitors

JOURNAL: Scientific Reports (Article number: 11417)
Published: 01 June, 2021

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Identification of non-classical hCA XII inhibitors using combination of computational approaches for drug design and discovery

JOURNAL: Scientific Reports (Article number: 15516)
Published: 30 July 2021

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Soybean-associated endophytic fungi as potential source for anti-COVID-19 metabolites supported by docking analysis

JOURNAL: Journal of Applied Microbiology (Volume131, Issue3)
Published: 08 February, 2021

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Multitarget in silico studies of Ocimum menthiifolium, family Lamiaceae against SARS-CoV-2 supported by molecular dynamics simulation

JOURNAL: Journal of Biomolecular Structure and Dynamics (Volume 40)
Published: 15 Dec, 2020

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A Network Pharmacology Analysis of Cytotoxic Triterpenes Isolated from Euphorbia abyssinica Latex Supported by Drug-likeness and ADMET Studies

JOURNAL: ACS Omega (Vol 7/Issue 21)
Published: May 16, 2022

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In silico study of colchicine resistance molecular mechanisms caused by tubulin structural polymorphism

JOURNAL: ACS Omega (Vol 7/Issue 21)
Published: May 16, 2022

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Natural antimicrobial peptides as a source of new antiviral agents

JOURNAL: ACS Omega (Vol 7/Issue 21)
Published: May 16, 2022

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