X-ray crystallography (XRC) Structure Studies & Surface Plasmon Resonance (SPR) Studies COVID-19

NOTICE OF INTENT to Sole Source - COVID-19 1. SOLICITATION NUMBER: 75N95022Q00465 2. TITLE: X-ray crystallography (XRC) Structure Studies & Surface Plasmon Resonance (SPR) Studies 3. CLASSIFICATION CODE: Q301 - MEDICAL- LABORATORY TESTING NAICS CODE: 541380 - Testing Laboratories RESPONSE DATE: August 9, 2022 at 3:00 PM EST 4. PRIMARY POINT OF CONTACT: Michelle Cecilia contact@example.gov Phone: +1 (555) 000-0000 5. DESCRIPTION: INTRODUCTION THIS IS A PRE-SOLICITATION NON-COMPETITIVE (NOTICE OF INTENT) SYNOPSIS TO AWARD A CONTRACT WITHOUT PROVIDING FOR FULL OR OPEN COMPETITION (INCLUDING BRAND-NAME). The National Center for Advancing Translational Sciences (NCATS) intends to negotiate on a sole source basis with Schrodinger, LLC for X-ray crystallography (XRC) Structure Studies & Surface Plasmon Resonance (SPR) Studies. NORTH AMERICAN INDUSTRY CLASSIFICATION SYSTEM (NAICS) CODE and SET ASIDE STATUS The intended procurement is classified under NAICS code 541380 - MEDICAL - Laboratory Testing with a Size Standard of $16.5 million. REGULATORY AUTHORITY This acquisition is conducted under the authority of the Federal Acquisition Regulation (FAR) Part 13'Simplified Acquisition Procedures. Contracts awarded using FAR Part 13'Simplified Acquisition Procedures are exempt from the requirements of FAR Part 6'Competition Requirements. FAR Subpart 13.106-1 (b) Soliciting from a single source provides that: For purchases not exceeding the simplified acquisition threshold, Contracting officers may solicit from one source IF the contracting officer determines that the circumstances of the contract action deem only one source reasonably available (e.g., urgency, exclusive licensing agreements, brand-name OR industrial mobilization). The resultant contract will include all applicable provisions and clauses in effect through the Federal Acquisition Circular (FAC) 2022-06 dated May 26, 2022. DESCRIPTION OF REQUIREMENT Structure guided drug design forms a central strategy in optimizing compounds in medicinal chemistry campaigns in target-based drug discovery. We are optimizing structurally different compounds or small molecules against the bacterial glucoronidases H11G11 and RgGUS, and the methyl transferase GNMT. Very recently Schrodinger secured the protein RgGUS and successfully solved crystal structure of the isolated protein, co-crystal structures of two distinct chemotypes in combination with an enzyme substrate. This work was initiated with a previous purchasing order. This partially completed work has proven the Schrodinger is able to obtain co-crystals structures of proteins with small molecules provided by NCATS. This promising work is required to continue to aid in the design of subsequent compounds from the same chemical series that have been crystalized and others structurally distinct compounds. In addition to obtaining co-crystal structures NCATS needs to extend the initial contract to also obtain critical enzyme-small molecule binding parameters (such as Kd, kon, koff) through surface plasmon resonance (SPR) technology; it is important that this work is done at Schrodinger who already have the protein and small molecule with them from co-crystal structural work. PURPOSE AND OBJECTIVES: SPECIFIC REQUIREMENTS: The project consists of two parts. 1) Crystallization, compound soaking, synchrotron X-ray evaluation, and X-ray structure determination of RgGUS in complex with ligands. 2) The SPR options below are examples of the work to be completed. The amount of compounds tested may change. - Optional Assay #3: Competitive binding measurements (5 test compounds) - Optional Assay #2: Binding measurements (12 test compounds) - Optional Assay #3: Competitive binding measurements (5 test compounds) Anticipated Period of Performance: 12 months ARO CONTRACTING WITHOUT PROVIDING FOR FULL OR OPEN COMPETITION (INCLUDING BRAND-NAME) DETERMINATION The determination by the Government to award a contract without providing for full and open competition is based upon the market research conducted. Specifically, Schrodinger, LLC is the only vendor in the marketplace that can provide the products required by NCATS. The intended source is: Schrodinger, LLC 120 W 45th St. FL 17 New York, NY 10036-4031 CLOSING STATEMENT THIS SYNOPSIS IS NOT A REQUEST FOR COMPETITIVE PROPOSALS. However, interested parties may identify their interest and capability to respond to this notice. A determination by the Government not to compete this proposed contract based upon responses to this notice is solely within the discretion of the Government. All responsible sources may submit a capability statement, proposal, or quotation which shall be considered by the agency. The information received will normally be considered solely for the purposes of determining whether to proceed on a non-competitive basis or to conduct a competitive procurement. Responses to this notice shall contain sufficient information to establish the interested parties' bona-fide capabilities for fulfilling the requirement and include: unit price, list price, shipping and handling costs, the delivery period after contract award, the prompt payment discount terms, the F.O.B. Point (Destination or Origin), the Dun & Bradstreet Number (DUNS), the Taxpayer Identification Number (TIN), and the certification of business size. All offerors must have an active registration in the System for Award Management (SAM) www.sam.gov. All responses must be received by the closing date and time of this announcement and must reference the solicitation number, 75N95022Q00465 Responses must be submitted electronically to Michelle Cecilia, Contracting Officer, at contact@example.gov. U.S. Mail and fax responses will not be accepted.