ChemDiv, Inc.

ChemDiv released new update of our screening collection. You can download database that includes over 1.6 million HTS compounds, 70,000 building blocks, 45,000 inhibitors and drugs. With unigue structural diversity, smart design, fresh updates and varios formats available, we keep over 30Y market leadership. ChemDiv ensures resupply, resynthesis, immediate analogs selection, medchem FTE support for H2L. https://lnkd.in/exgt57S7 #screening_collection

ChemDiv introduces a new DarkKinome library of screening compounds. DarkKinome refers to a subset of protein kinases that are less well-studied than their better-known counterparts. These kinases, including BRSK2, CDK10, CDK12, CDK13, DYRK1B, PIP4K2C, PKMYT1, STK17B, TLK2, and WEE2, are characterized by limited structural and functional knowledge, posing challenges for drug discovery. Despite this, they are considered drug targets due to their roles in various signaling pathways and potential implications for diseases such as cancer and neurodegeneration. Target kinases: 1. BRSK2: involved in the regulation of neuronal function. 2. CDK10: plays a role in cell cycle regulation and transcription. 3. CDK12: important for the regulation of RNA polymerase II transcription. 4. CDK13: functions similarly to CDK12 in transcriptional control. 5. DYRK1B: associated with neurodevelopmental disorders and cancer. 6. PIP4K2C: involved in phosphoinositide metabolism. 7. PKMYT1: regulates cell cycle progression. 8. STK17B: involved in stress response pathways. 9. TLK2: associated with DNA damage response. 10. WEE2: critical regulator of the cell cycle. To improve the understanding and therapeutic targeting of these dark kinases, we created a customized chemical library containing potentially active 8436 molecules targeting these targets. The development of this library utilizes machine learning algorithms combined with extensive knowledge obtained from both open and commercial databases including: PubChem, ChEMBL, Google Patents, SciFinder, and others. Using these resources, we selected small molecules with potentially high affinity and selectivity for dark kinome targets. The integration of machine learning enabled prediction of the potency and safety profiles of compounds, improving the efficiency of the drug discovery process. For each of the 10 kinases, we provide a list of compounds. https://lnkd.in/evmNtu3a #DarkKinome 

✨ Yesterday, the ChemDiv, Inc. team had the privilege of attending #InnovationDay2024 in San Diego. The event was packed with engaging panel discussions featuring thought leaders from Johnson & Johnson, UC San Diego, Arcturus Therapeutics, Maravai LifeSciences, Replicate Bioscience, Inc., and more. We were also honored to meet San Diego Mayor Todd Gloria. Connecting with our community leaders and industry pioneers in such a dynamic setting reaffirms our commitment to driving innovation within the biotech sector. 💡 Let’s continue pushing the boundaries of science and innovation—together! #InnovationDay2024 #Biotech #SanDiego #Networking #ChemDiv #BiotechInnovation #CollaborateForSuccess

ChemDiv Presents Over 85,000 Compounds in Five Updated AGRO Libraries Modern agrochemicals and pharmaceuticals interact with their target receptors or enzymes using similar molecular recognition processes. In some cases, they target homologous proteins, making it unsurprising that the same class of compounds can produce active ingredients for both industries. Crop protection research and pharmaceutical chemistry offer an exciting landscape of innovation, driven by a variety of chemical sources and methods. The common principles of molecular recognition reveal opportunities for cross-industry applications, showing that the process from initial screening hits to optimized leads goes beyond traditional boundaries. Our AGRO Libraries include various agrochemical classes such as plant growth regulators (PGRs), herbicides, insecticides, fungicides, safeners, rodenticides, and others. The target space encompasses ALS inhibitors, ACCase inhibitors, auxin mimetics, ACS inhibitors, elongase inhibitors, GGPP cyclase inhibitors, PPO inhibitors, GST stimulators, 14α-demethylase inhibitors, DHP synthase inhibitors, DOXP synthase inhibitors, EPSPS inhibitors, PDS inhibitors, and 4-HPPD inhibitors. We offer a wide and novel chemical space of new potential antibacterial, antifungal, and antiparasite compounds. Our antifungal collection features inhibitors of ergosterol biosynthesis, fungal membrane disruptors, inhibitors of fungal cell wall synthesis, sphingolipid biosynthesis, nucleic acid synthesis, protein biosynthesis, and microtubule biosynthesis inhibitors. Our antibacterial sets are specifically focused on critical bacterial targets, including RNA polymerase, DNA polymerase III, peptide deformylase, cell division protein FtsZ, tyrosine tRNA ligase, penicillin-binding protein, New Delhi metallo-beta-lactamase-1, DNA gyrase, and DNA topoisomerase IV. These targets are essential for bacterial survival and replication, making them ideal candidates for the development of novel antibiotics. #GRO_Libraries https://lnkd.in/eAg5PM4x

🎉 As we celebrate Labor Day, we want to take a moment to acknowledge and appreciate the hard work and dedication of our incredible team at ChemDiv, Inc., as well as all the professionals in the life sciences and drug discovery industry. Your commitment to advancing science and improving global health is truly inspiring. 🎉 Wishing everyone a relaxing and enjoyable Labor Day. Let's take this day to recharge and reflect on the achievements we've made together. #LaborDay #ChemDiv #TeamWork #Innovation #DrugDiscovery

We are honored to be recognized as a global leader in the Screening Compound Libraries Market, as highlighted in recent market analysis. At ChemDiv, Inc., our unwavering commitment to innovation and excellence has solidified our position as a key player in advancing drug discovery and development. As a San Diego-based company, our vast and diverse Screening Compound Libraries support research and development efforts worldwide, with fast and reliable delivery to clients across North America, Europe, Asia-Pacific, and beyond. Our dedication to quality ensures that your projects remain at the forefront of scientific advancement. ChemDiv, Inc.’s libraries are not only comprehensive but also customizable, enabling our partners to discover new drug candidates, develop innovative therapeutic solutions, and drive significant advancements in the life sciences. Our expertise and commitment to timely delivery mean that researchers can access the compounds they need, exactly when they need them. Thank you to our partners and clients for placing your trust in us. Together, we are shaping the future of drug discovery! https://lnkd.in/g38UGtYg

Interesting article on the resurgence of small-molecule oncology drugs. These innovative treatments, including advances like PROTACs and molecular glues, are revolutionizing cancer therapy by offering more targeted and effective solutions. At ChemDiv, Inc., we are at the forefront of PROTACs and molecular glue degraders research. 💥 In our small molecule collection, you'll find compounds like the Molecular Glues Library, IMiD, CELMoD, and TIM-3 library. With the rapid integration of new technologies and computational power, we are entering a golden age for small-molecule oncology drugs ⚡

GLP1R library GLP1R library 13938 compounds. Discovery of GLP1R agonists. GLP-1R (Glucagon-like peptide-1 receptor) is a crucial target for therapeutic agent development because its activation plays a significant role in regulating glucose levels and appetite. GLP-1R agonists are used for treating type 2 diabetes and obesity, making the discovery of new, effective compounds particularly important. The following technologies were employed to identify new potential GLP-1R agonists: 1. Tanimoto + PhysChem Filters Approach : Physicochemical Filters: Criteria included the number of hydrogen bond donors and acceptors, the log partition coefficient (LogP), molecular weight, the number of rotatable bonds, and total polar surface area (TPSA). ChemDiv Library: Initially contained 1,666,984 compounds, which were filtered down to 85,874 compounds after applying the physicochemical filters. Tanimoto Similarity: Used to search for compounds with a specified similarity, employing threshold values of 0.3 and 0.4 for 256 and 512 bits. This reduced the number of compounds to 4,315. 2. Molecular Docking: Docking Score: Identifying potential agonists based on their binding affinity to GLP-1R using molecular docking. Compounds with the best docking scores (up to -11) were selected. 3. Deep Learning: Deep Learning Model: Trained using data from various patents and public databases to classify active and inactive compounds. Model Architecture: Included three Graph Attention Layers (GAT), a Global Mean Pooling layer, and two fully connected layers with a sigmoid activation function for final classification. Results: The model showed high metrics for accuracy, ROC AUC, and PR AUC, indicating its effectiveness in predicting compound activity. Combining these methods allowed for narrowing down the compound library to the most promising candidates for further experimental testing and development of new therapeutic agents for diabetes and obesity treatment. #GLP1R  https://lnkd.in/ehvQQNeE

Join Telegram Channel from Chemdiv We provide selected news on pharmaceuticals companies, the FDA and the broader Pharma industry, with special focus on discovery of new drugs, development and clinical trials. https://t.me/Chemdiv_Today #Telegram_Chemdiv

Inhibitors And Drugs Available From ChemDiv,Inc At ChemDIv we are committed to continuously offer new screening collections to our customers and we are happy to announce the new arrivals to our screening collection. Scientists can explore specific collections for Drug repurposing, including off patented drugs (OFP), off market drugs(OFM), on patent drugs (ONP), FDA approved and non FDA approved drugs. #Inhibitors  https://lnkd.in/epuMx9uz