Chemical Biology & Drug Design is dedicated to the advancement of innovative science, technology, and medicine. The journal aims to publish research that highlights new concepts, insight and findings.

Chemical Biology & Drug Design covers all aspects of the multidisciplinary fields of chemical biology and drug design. We accept articles on current science in the field and emerging concepts of significance.

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Graphical Abstract: Fragment-linking approaches are discussed with a focus on structural techniques such as NMR, X-ray crystallography and in silico methods.

"Fragment based drug design (FBDD) has become a standard methodology in the drug industry. This paradigm dates back to 1996 with publication of the landmark paper in Science. The paradigm depends on screening of small, generally 250 to 300 Da, compounds termed fragments, which record weak affinities often in the millimolar range. These inhibitors can then be grown or linked up to form tight binding inhibitors. FBDD samples more chemical space than larger molecules, so smaller chemical libraries can be used. While the methodology has been notably successful, the use of linking strategies has lagged behind.

This review by Elizabeth Bedwell, William McCarthy, Anthony Coyne, and (the late) Chris Abell, a leading scientist in this field, looks at linker structure and how it relates to the properties of the final ligand. Dynamic combinatorial chemistry and kinetic target- guided synthesis, are highlighted as methods to watch. Linker design is a similarly difficult area for proteolysis targeted chimeras (PROTACs), and maybe there are some useful tips in this analysis."
- David Selwood

  1. Discovering high-affinity ligands for proteins: SAR by NMR. Shuker SB, Hajduk PJ, Meadows RP, Fesik SW. Science. 1996. 274(5292):1531-4.
  1. Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors. Howard N, Abell C, Blakemore W, Chessari G, Congreve M, Howard S, Jhoti H, Murray CW, Seavers LC, van Montfort RL. J Med Chem. 2006 Feb 23;49(4):1346-55.

Linker design for Fragment Based Drug Design

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Compound ZYZ384 could selectively inhibit the growth of gefitinib-resistant (G-R) lung cancer cells by activating JNK/MAPK signaling pathway, without affecting that of normal lung epithelial cells.

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A comprehensive update on genetic inheritance, epigenetic factors, associated pathology, and recent therapeutic intervention by gene therapy in schizophrenia

  •  23 November 2023

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Dopaminergic pathways influence positive and negative symptoms. Upregulation of the D1 receptor in the striatal region results in positive signs, while downregulation of the D2 receptor in PFC results in negative symptoms.

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The present review discusses the detailed physiology of calcium homeostasis and its dysregulation in Alzheimer's disease along with discussing it from the point of view of drug discovery and design.

Novel hybrid virtual screening protocol based on pharmacophore and molecular docking for discovery of GSK-3β inhibitors

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A hybrid virtual screening strategy to obtain novel specific GSK-3β inhibitors has constructed by using computer-aided drug design techniques. Four hit compounds had strong inhibitory activity on GSK-3β kinase. Especially, two and four displayed considerable inhibitory activities with IC50 value of 0.74 ± 0.04 and 2.32 ± 0.84 μM respectively.

Promising anticonvulsant and/or analgesic compounds among 5‐chloro‐2‐ or 5‐chloro‐4‐methyl derivatives of xanthone coupled to aminoalkanol moieties—Design, synthesis and pharmacological evaluation

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A series of xanthone derivatives has been synthesized and screened for anticonvulsant and/or analgesic in neuropathic pain activity (mice, i.p.). For compound 3: MES ED50 = 25.76, antinociceptive activity at 2 mg/kg (chronic constriction injury), inhibition of control specific binding for sigma-1 = 70% and for sigma-2 = 72%.

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A novel series of 1,3,5-triazine-phenylthiazole-pyrazole derivatives were developed as potent E. coli DNA Gyrase inhibitory. Compound 4h showed excellent inhibition of cefotaxime resistant E. coli strain (CREC106). It showed potent reduction in bacterial load of CREC106 in the treated BALB/c, and found approximately equi-potent to Novobiocin as standard.

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