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pharmacophore similarity  (Novartis)
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Novartis pharmacophore similarity
Ligand-based <t>pharmacophore</t> hypotheses designed for scaffold seeding experiments from co-crystallized NLRP3 inhibitors and key pharmacophore points selected for each experiment.
Pharmacophore Similarity, supplied by Novartis, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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pharmacophore similarity - by Bioz Stars, 2026-06
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receptor ligand pharmacophore generation module  (Accelrys)
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<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Receptor Ligand Pharmacophore Generation Module, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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receptor ligand pharmacophore generation module - by Bioz Stars, 2026-06
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<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
2d Qsar Pharmacophore Model, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2d qsar pharmacophore model - by Bioz Stars, 2026-06
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pharmacophores  (Bemis Inc)
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<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
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pharmacophores - by Bioz Stars, 2026-06
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feature 3d pharmacophore model  (Chembridge)
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Chembridge feature 3d pharmacophore model
<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Feature 3d Pharmacophore Model, supplied by Chembridge, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews
feature 3d pharmacophore model - by Bioz Stars, 2026-06
86/100 stars
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hdac inhibitor pharmacophore  (Merck & Co)
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Merck & Co hdac inhibitor pharmacophore
<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Hdac Inhibitor Pharmacophore, supplied by Merck & Co, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews
hdac inhibitor pharmacophore - by Bioz Stars, 2026-06
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ligand-pharmacophore mapping protocol  (Accelrys)
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Accelrys ligand-pharmacophore mapping protocol
<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Ligand Pharmacophore Mapping Protocol, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 90 stars, based on 1 article reviews
ligand-pharmacophore mapping protocol - by Bioz Stars, 2026-06
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computer-aided drug design: qsar, molecular docking, virtual screening, homology and pharmacophore modeling  (Walter de Gruyter GmbH)
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Walter de Gruyter GmbH computer-aided drug design: qsar, molecular docking, virtual screening, homology and pharmacophore modeling
<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Computer Aided Drug Design: Qsar, Molecular Docking, Virtual Screening, Homology And Pharmacophore Modeling, supplied by Walter de Gruyter GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 90 stars, based on 1 article reviews
computer-aided drug design: qsar, molecular docking, virtual screening, homology and pharmacophore modeling - by Bioz Stars, 2026-06
90/100 stars
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pharmacophore hybridization strategy  (Novartis)
90
Novartis pharmacophore hybridization strategy
<t>Receptor‐ligand‐pharmacophore</t> generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.
Pharmacophore Hybridization Strategy, supplied by Novartis, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/pharmacophore/pm40554983-208-0-5?v=Novartis
Average 90 stars, based on 1 article reviews
pharmacophore hybridization strategy - by Bioz Stars, 2026-06
90/100 stars
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Image Search Results


Ligand-based pharmacophore hypotheses designed for scaffold seeding experiments from co-crystallized NLRP3 inhibitors and key pharmacophore points selected for each experiment.

Journal: Scientific Data

Article Title: Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target

doi: 10.1038/s41597-026-06850-y

Figure Lengend Snippet: Ligand-based pharmacophore hypotheses designed for scaffold seeding experiments from co-crystallized NLRP3 inhibitors and key pharmacophore points selected for each experiment.

Article Snippet: However, the very fact of the pharmacophore similarity between Chemotype 1 and Chemotype 2 is not trivial and was revealed by the respective study by Novartis .

Techniques:

Chemotype 1 scaffold found from an NLRP3 unrelated source during AI screening. ( a ) MCS is highlighted (green) for virtual hits and Chemotype 1 ligands, ( b ) 2D depiction of the pharmacophore hypothesis derived from PDB 8RI2 ligand utilized in the 1 st config, ( c ) Alignment of Structure ID 9526271 (cyan), (see DA1 ) of compound derived from patent WO2023034836A1 and PDB 8RI2 ligand (NP3–562, magenta), (see DA3 ).

Journal: Scientific Data

Article Title: Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target

doi: 10.1038/s41597-026-06850-y

Figure Lengend Snippet: Chemotype 1 scaffold found from an NLRP3 unrelated source during AI screening. ( a ) MCS is highlighted (green) for virtual hits and Chemotype 1 ligands, ( b ) 2D depiction of the pharmacophore hypothesis derived from PDB 8RI2 ligand utilized in the 1 st config, ( c ) Alignment of Structure ID 9526271 (cyan), (see DA1 ) of compound derived from patent WO2023034836A1 and PDB 8RI2 ligand (NP3–562, magenta), (see DA3 ).

Article Snippet: However, the very fact of the pharmacophore similarity between Chemotype 1 and Chemotype 2 is not trivial and was revealed by the respective study by Novartis .

Techniques: Derivative Assay

Receptor‐ligand‐pharmacophore generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.

Journal: Chemical Biology & Drug Design

Article Title: Pharmacophore‐Based Identification and Molecular Characterization of Potent Neprilysin Inhibitors: Biochemical and Therapeutic Implications for Cardiovascular Diseases

doi: 10.1111/cbdd.70247

Figure Lengend Snippet: Receptor‐ligand‐pharmacophore generation based on the complex structure of NEP‐sacubitrilat. (A) The complex structure of NEP‐sacubitrilat (PDB ID: 5JMY). The NEP is presented in ribbon (colored in gray); sacubitrilat is shown in spheres (colored in orange). (B) Generated pharmacophore features and structure of the NEP‐sacubitrilat. The interactive residues of NEP are shown as sticks (white) and labeled. The sacubitrilat is presented in balls‐and‐sticks (orange). (C) Features at a specific distance correspond to the pharmacophore model Phar‐A3D2R1 . Pharmacophore features are color‐coded as follows: Hydrogen‐bond acceptor, green; hydrogen‐bond donor, magenta; ring aromatic feature, orange.

Article Snippet: The modeling process was conducted with the receptor‐ligand pharmacophore generation module in Discovery Studio 2021 (Accelrys Software Inc., San Diego, CA, USA).

Techniques: Generated, Labeling

Pharmacophore‐based inhibitor screening. The results of ligand pharmacophore ( Phar‐A3D2R1 ) mapping of top 10 hits screened from TCM database.

Journal: Chemical Biology & Drug Design

Article Title: Pharmacophore‐Based Identification and Molecular Characterization of Potent Neprilysin Inhibitors: Biochemical and Therapeutic Implications for Cardiovascular Diseases

doi: 10.1111/cbdd.70247

Figure Lengend Snippet: Pharmacophore‐based inhibitor screening. The results of ligand pharmacophore ( Phar‐A3D2R1 ) mapping of top 10 hits screened from TCM database.

Article Snippet: The modeling process was conducted with the receptor‐ligand pharmacophore generation module in Discovery Studio 2021 (Accelrys Software Inc., San Diego, CA, USA).

Techniques: