![]() PDPK1 is a 556 amino acid residue long polypeptide with two domains (i.e., the kinase and the Preckstrin homology (PH) domain). The findings show that the newly discovered 11-Hydroxytephrosin and Torosaflavone A bind to PDPK1 in an ATP-competitive manner, suggesting that they could one day be used as therapeutic scaffolds against PDPK1-associated diseases including cancer. The simulation results revealed that PDPK1 forms stable docked complexes with the elucidated compounds. The conformational dynamics and complex stability of PDPK1 with the selected compounds were then studied using interaction analysis and molecular dynamics (MD) simulations for 100 ns. ![]() These compounds preferentially bind to the ATP-binding pocket of PDPK1 and interact with functionally significant residues. Both compounds showed drug-likeness as predicted by the ADMET analysis and their physicochemical parameters. ![]() Finally, we identified two natural compounds, 11-Hydroxytephrosin and Torosaflavone A, bearing substantial affinity with PDPK1. Primarily, the Lipinski rules, ADMET, and PAINS filter were applied and then the binding affinities, docking scores, and selectivity were carried out to find effective hits against PDPK1. In this work, we conducted a systematic virtual screening of natural compounds from the IMPPAT database to identify possible PDPK1 inhibitors. Prices and configurations may vary.The 3-phosphoinositide-dependent protein kinase 1 (PDPK1) has a significant role in cancer progression and metastasis as well as other inflammatory disorders, and has been proposed as a promising therapeutic target for several malignancies. Other trademarks are for informational purposes only and may be trademarks of their respective owners.ĪWARDS & REVIEWS: ‘Awards & Reviews’ content as seen on this site may be sourced from publications around the globe. AMD, the AMD Arrow logo, ATI, the ATI logo, AMD Athlon, AMD Turion, Radeon and combinations thereof are trademarks of Advanced Micro Devices, Inc. and other countries.Īdvanced Micro Devices, Inc. NVIDIA, the NVIDIA logo, GeForce, GeForce RTX, GeForce MAX-Q, GRID, SHIELD, Battery Boost, CUDA, FXAA, GameStream, G-Sync, NVLINK, ShadowPlay, SLI, TXAA, PhysX, GeForce Experience, GeForce NOW, Maxwell, Pascal and Turing are trademarks and/or registered trademarks of NVIDIA Corporation in the U.S. Smart Selection orders are subjected to Dell’s Standard Terms and Conditions of Sale that are available at TRADEMARKS: Celeron, Intel, the Intel logo, Intel Atom, Intel Core, Intel Inside, the Intel Inside logo, Intel vPro, Intel Evo, Intel Optane, Intel Xeon Phi, Iris, Itanium, MAX, Pentium, and Xeon are trademarks of Intel Corporation or its subsidiaries. SMART SELECTION (In stock & ready to ship): 3 business days delivery within Singapore (depending on stock availability) from order confirmation & upon payment clearance. Customer may be required to return unit to Dell. CompleteCover excludes theft, loss, and damage due to fire, intentional damage, acts of God or natural disasters, animals, pets or pests. ĬOMPLETECOVER: CompleteCover service is available for personal computers, Axim PDAs, Dell branded projectors and LCD TV. Defective unit must be returned or paid for. Service timing dependent upon time of day call placed to Dell. Subject to parts availability, geographical restrictions (on site and/or next business day service not available in some locations) and terms of service contract. ONSITE SERVICE : Technician, replacement part or unit (depending on service contract) will be dispatched if necessary following phone-based troubleshooting. MISTAKES: While all efforts are made to check pricing and other errors, inadvertent errors do occur from time to time and Dell reserves the right to decline orders arising from such errors. Choose carefully, as order cancellation rights are limited and additional costs may apply. RETURNS POLICY: Dell’s “Returns Policy” found at //to all sales. If you have contractual terms with Dell that refer to list pricing, please contact your Dell sales representative to obtain information about Dell’s list pricing. Any promotional savings listed on this site are referenced off of a previous online price for the same product or service. No discounts apply to Dell’s online pricing other than the savings listed on this site. ![]() Pricing: The pricing available on this site is Dell’s pricing for online purchases only. Dell cannot guarantee that promotions and prices listed online will be available to purchase by telephone. Promotional deals apply to maximum order size of 10 desktop or laptop systems. **Dell's Terms and Conditions: apply to all sales available on request or at "Terms and Conditions of Sale" located at the bottom of our homepage at: Prices and specifications are correct at date of publication but subject to availability or change without notice. Energy, Climate Action & Sustainability.
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