Bioinfo Chem
Latest Issue - Volume 7 Number 1 2025
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Bioinfo Chem
Advanced Bioinformatics and Chemistry is an international, open access, peer-reviewed journal that publishes: Original Research; Reviews; Hypothesis formation and commentaries in t
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Bioinfo Chem
Volume 7 Number 1 2025
Table of Contents
Research Article
Bioinformatics & In Silico Modeling
Shahadat Hossain1*, Moin Uddin Patwary2, Md Abdus Samad3, Hossen Md. Arafat4
Epigallocatechin gallate (EGCG) offers a safe, natural alternative to antibody therapies by directly targeting PD-L1 and modulating immune response pathways.
Abstract | Full Text |PDF (982 KB) | Open Access Article
Computational Pharmacology
Shahadat Hossain1*, Farhana Ferdushi Aion2, Badhan Mojumder2
This study identifies Luteolin as a potential multi-target CDK4/6 inhibitor with broader anti-cancer action than current synthetic drugs.
Abstract | Full Text |PDF (692 KB) | Open Access Article
Network Pharmacology
Shahadat Hossain1*, Samima Nasrin Setu2, Maksudur Rahman Nayem3, Rifat Bin Amin4
This study highlights quercetin’s multi-target inhibition of PI3K signaling in GBM, suggesting a safer, plant-based therapeutic alternative.
Abstract | Full Text | Open Access Article
Structural Biology / Molecular Docking
Shahadat Hossain1*, Md. Taufique Hasan Bhuiyan Sezan2, Moin Uddin Patwary3
Berberine offers a natural, safe, and multi-pathway alternative for selectively targeting KRAS G12C in colorectal cancer therapy development.
Abstract | Full Text |PDF (523 KB) | Open Access Article
Abdullah Bhuyan1*, Shahadat Hossain2, Moin Uddin Patwary1, Shamim Al Mamun1, Tanjila Hasan Tulon1
Flavokawain B’s inhibition of MAPK14 suggests its potential as a novel, natural therapeutic candidate against TNBC progression.
Abstract | Full Text |PDF (992 KB) | Open Access Article
Reviews
Natural Products Pharmacology
Harmine: A Natural β-Carboline with Promising Multi-Targeted Anticancer Potential
Noshin Tasnim Yana1, Md. Nasimul Haque Shipon1, Md Emran Hossain2, Md. Sakib Al Hasan1*, Md. Tahmidur Rahman1, Emon Mia1
Harmine shows multi-targeted anticancer activity, offering potential as a natural, safer alternative to conventional chemotherapy for various cancers.
Abstract | Full Text | Open Access Article
The peer-reviewed and edited version of record published online before inclusion in an issue
Manuscript-In-Press
Aman Shah Abdul Majid B, Md Shamsuddin Sultan Khan A*
Mitragyna alkaloids adopt a binding pose at the VEGF, TGFB, WNT, and NOTCH receptor to produce anticancer potency through angiogenic pathway
Manuscript-In-Press
Md Shamsuddin Sultan Khan A*, Aman Shah Abdul Majid B, Amin Malik Shah Abdul Majid B
The tumorigenic reactions were more serious due to senescence of the tumor in the reaction of IL17A, CBS and MHCII molecules.
Manuscript-In-Press
Farhana Mosaddqque A, B, Md Shamsuddin Sultan Khan C
The molecular interactions possessed the reason of being inhibitors of falcipain-2 as antimalarial agent.
Prediction of Protein–Metal Ion-Binding Sites Using Sequence Homology and Machine-Learning Methods
Zihan Tian 1, Cao Wei 1, Yutaka Moriwaki 1, Tohru Terada 1, Shugo Nakamura 1, Kazuya Sumikoshi 1, Fang Chun 1, and Kentaro Shimizu 1*
The sensitivity of the machine-learning method was 0.8239, and many metal ion-binding sites were predicted only by the machine-learning method.
Abstract | Full Text | PDF (2 MB) Open Access Article
These articles have been peer reviewed and accepted for publication. They are still in production and have not been edited, so may differ from the final published form.
Aman Shah Abdul Majid B, Md Shamsuddin Sultan Khan A*
Mitragyna alkaloids adopt a binding pose at the VEGF, TGFB, WNT, and NOTCH receptor to produce anticancer potency through angiogenic pathway
Md Shamsuddin Sultan Khan A*, Aman Shah Abdul Majid B, Amin Malik Shah Abdul Majid B
The tumorigenic reactions were more serious due to senescence of the tumor in the reaction of IL17A, CBS and MHCII molecules.
Farhana Mosaddqque A, B, Md Shamsuddin Sultan Khan C
The molecular interactions possessed the reason of being inhibitors of falcipain-2 as antimalarial agent.
Prediction of Protein–Metal Ion-Binding Sites Using Sequence Homology and Machine-Learning Methods
Zihan Tian 1, Cao Wei 1, Yutaka Moriwaki 1, Tohru Terada 1, Shugo Nakamura 1, Kazuya Sumikoshi 1, Fang Chun 1, and Kentaro Shimizu 1*
The sensitivity of the machine-learning method was 0.8239, and many metal ion-binding sites were predicted only by the machine-learning method.
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Computational Repurposing of Flavokawain B as a Novel p38 MAPK Inhibitor for Triple-Negative Breast Cancer Therapy
Flavokawain B’s inhibition of MAPK14 suggests its potential as a novel, natural therapeutic candidate against TNBC progression.
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Computational Elucidation of EGCG Interaction with PD-L1: A Natural Strategy for Immune Checkpoint Modulation in Melanoma
Epigallocatechin gallate (EGCG) offers a safe, natural alternative to antibody therapies by directly targeting PD-L1 and modulating immune response pathways.
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Virtual Screening and Computational Analysis of Natural Compound Targeting CDK4/6 for Pan-Cancer Therapeutic Potential
This study identifies Luteolin as a potential multi-target CDK4/6 inhibitor with broader anti-cancer action than current synthetic drugs.
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Targeting Mutant KRAS G12C with Berberine Derivatives: A Molecular Docking and Dynamics Approach in Colorectal Cancer
Berberine offers a natural, safe, and multi-pathway alternative for selectively targeting KRAS G12C in colorectal cancer therapy development.
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Harmine: A Natural β-Carboline with Promising Multi-Targeted Anticancer Potential
Harmine shows multi-targeted anticancer activity, offering potential as a natural, safer alternative to conventional chemotherapy for various cancers.
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Network Pharmacology and Docking-Based Evaluation of Quercetin as an Inhibitor of PI3K Pathway in Glioblastoma
This study highlights quercetin’s multi-target inhibition of PI3K signaling in GBM, suggesting a safer, plant-based therapeutic alternative.
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