Filters

Clear all

Expert Opinion

Plain Language Summary

Expert Review

Text Availability

Abstract

Full text

Free full text

Publication Types

Journal Article

Review

Research Support, Non-U.S. Gov't

Publication Year

From

Quick links

Individual year

2026

2025

2024

2023

2022

Sort by:

selected

Print page

Email selected articles

Favourite selected articles

Create a NED Search Alert for this search

Save this search

Advanced Search

Run an advanced search

Results for
""Pharmacophore""[mesh_terms]

20 Results

Searching titles within these results

Indole alkaloids from marine resources: Understandings from therapeutic point of view to treat cancers.

Fahadul Islam, Rajib Das, Irfan Ahmad, Zerrouki Dehbia, Mehrukh Zehravi, M Sivakumar, Karthickeyan Krishnan, Abdul Ajeed Mohathasim Billah, Bharadhan Bose, Avoy Ghosh, Shyamjit Paul, Firzan Nainu, Talha Bin Emran

Chemico-biological interactions 2023;383():110682

Full Text

Abstract

Identification of a Non-Retinoid Opsin Ligand Through Pharmacophore-Guided Virtual Screening-A Novel Potential Rhodopsin-Stabilizing Compound.

Gian Carlo Demontis, Tiziano Tuccinardi, Marco Macchia, Miriana Di Stefano, Lisa Piazza, Clarissa Poles, Maria Ghilardi, Giulio Poli

Molecules (Basel, Switzerland) 2025;30(11):

Free Full Text

Abstract

β-Like DNA polymerases and prospects for their use as targets in chemotherapy of tumors.

V V Davydov, A A Bukhvostov, D A Kuznetsov

Biomeditsinskaia khimiia 2023;69(3):145-155

Full Text

Abstract

Comprehensive review on natural pharmacophore tethered 1,2,3-triazoles as active pharmaceuticals.

Aluru Rammohan, Bhumireddy Chinnachennaiahgari Venkatesh, Nabhubygari Mahaboob Basha, Grigory V Zyryanov, Mekala Nageswararao

Chemical biology & drug design 2023;101(5):1181-1203

Full Text

Abstract

Identification of Potent Small-Molecule PCSK9 Inhibitors Based on Quantitative Structure-Activity Relationship, Pharmacophore Modeling, and Molecular Docking Procedure.

Ali Mahmoudi, Alexandra E Butler, Maciej Banach, Tannaz Jamialahmadi, Amirhossein Sahebkar

Current problems in cardiology 2023;48(6):101660

Full Text

Abstract

Drug repositioning for rosacea disease: Biological TARGET identification, molecular docking, pharmacophore mapping, and molecular dynamics analysis.

Angel Matias Sanchez, Marina Inés Flamini, Gustavo Adolfo Barraza, Ana Carla Castro-Guijarro, Valentina de la Fuente Hoffmann, Santiago Junior Bolívar Ávila

Computers in biology and medicine 2024;181():108988

Full Text

Abstract

Ligand-based pharmacophore modeling for the discovery of Na_V1.7 inhibitors.

Martina Piga, Peter Lukacs, Krisztina Pesti, György Várady, Zoltan Varga, Nace Zidar, Tihomir Tomašič

Journal of computer-aided molecular design 2026;40(1):

Full Text

Abstract

Identification of some bioactive compounds from Trignonella foenumgraecum as possible inhibitors of PPARϒ for diabetes treatment through molecular docking studies, pharmacophore modelling and ADMET profiling: An in-silico study.

Olayinka Sunday Okoh, AbdulbasitHaliru Yakubu, Abayomi Emmanuel Adegboyega, Daniel Ejim Uti, Uket Nta Obeten, Samuel Ali Agada, Folusho Oluwaloni, Grace Inioluwa Johnson, Leonard Paul Mela, Rita Onyekachukwu Asomadu, Opeyemi Iwaloye, Titilayo Omolara Johnson, Obasi Uche Orji

PloS one 2023;18(5):e0284210

Free Full Text

Abstract

Molecular Design of Novel Inhibitor by Targeting IL-6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold-Hopping Techniques: A Dual Therapeutic Strategy for COVID-19 and Cancer.

Ishani Paul, Alankar Roy, Sujay Ray

Chemistry & biodiversity 2023;20(12):e202300806

Full Text

Abstract

In silico exploration of CB2 receptor agonist in the management of neuroinflammatory conditions by pharmacophore modeling.

Rajasekhar Reddy Alavala, Shlok Bodke, Nachiket Joshi, Divya Suares

Computational biology and chemistry 2024;110():108049

Full Text

Abstract

3D-QSAR, Pharmacophore Modeling, ADMET and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors.

Savaş Kaya, Archana Dhyani, Mohan Kumar, Mohammad Javed Ansari, Marcus Tullius Scotti, Bijo Mathew, Sunil Kumar, Saleh Alfarraj, Avni Berisha, Githa Elizabeth Mathew, Chonny Herrera-Acevedo, Sachithra Thazhathuveedu Sudevan

Current computer-aided drug design 2025;21(2):179-193

Full Text

Abstract

Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies.

Nihal AbdElmoniem, Marwa H Abdallah, Rua M Mukhtar, Fatima Moutasim, Ahmed Rafie Ahmed, Alaa Edris, Walaa Ibraheem, Alaa A Makki, Eman M Elshamly, Rashid Elhag, Wadah Osman, Ramzi A Mothana, Abdulrahim A Alzain

Molecules (Basel, Switzerland) 2023;28(4):1771

Free Full Text

Abstract

A virtual insight into mushroom secondary metabolites: 3D-QSAR, docking, pharmacophore-based analysis and molecular modeling to analyze their anti-breast cancer potential.

Mohammed Bourhia, Ahmad Mohammad Salamatullah, Nusrat Shafiq, Simone Brogi, Bushra Shakoor, Nazia Yaqoob, Shagufta Parveen, Maryam Rashid

Journal of biomolecular structure & dynamics 2025;43(9):4512-4533

Full Text

Abstract

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations.

Amirhossein Hajipasha, Nilofar Ghaffari Cherati, Mohammad Darzi, Seyedeh Sana Nateghi, Seyed Arshia Sadat Mohsenian, Mahla Noorzaei, Fatemeh Kashiri Dinaki, Mohammad Halimi

Scientific reports 2025;15(1):39506

Free Full Text

Abstract

Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches.

Hemlata Pundir, Tanuja Joshi, Manish Pant, Sunaullah Bhat, Jyoti Pandey, Subhash Chandra, Sushma Tamta

Journal of biomolecular structure & dynamics 2022;40(24):13366-13377

Full Text

Abstract

Results: 1 – 15 / 20

Filters

Expert Opinion

Text Availability

Publication Types

Publication Year

Results for ""Pharmacophore""[mesh_terms]

Indole alkaloids from marine resources: Understandings from therapeutic point of view to treat cancers.

Identification of a Non-Retinoid Opsin Ligand Through Pharmacophore-Guided Virtual Screening-A Novel Potential Rhodopsin-Stabilizing Compound.

β-Like DNA polymerases and prospects for their use as targets in chemotherapy of tumors.

Comprehensive review on natural pharmacophore tethered 1,2,3-triazoles as active pharmaceuticals.

Identification of Potent Small-Molecule PCSK9 Inhibitors Based on Quantitative Structure-Activity Relationship, Pharmacophore Modeling, and Molecular Docking Procedure.

Drug repositioning for rosacea disease: Biological TARGET identification, molecular docking, pharmacophore mapping, and molecular dynamics analysis.

Ligand-based pharmacophore modeling for the discovery of NaV1.7 inhibitors.

Identification of some bioactive compounds from Trignonella foenumgraecum as possible inhibitors of PPARϒ for diabetes treatment through molecular docking studies, pharmacophore modelling and ADMET profiling: An in-silico study.

Molecular Design of Novel Inhibitor by Targeting IL-6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold-Hopping Techniques: A Dual Therapeutic Strategy for COVID-19 and Cancer.

In silico exploration of CB2 receptor agonist in the management of neuroinflammatory conditions by pharmacophore modeling.

3D-QSAR, Pharmacophore Modeling, ADMET and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors.

Identification of Novel Natural Dual HDAC and Hsp90 Inhibitors for Metastatic TNBC Using e-Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Studies.

A virtual insight into mushroom secondary metabolites: 3D-QSAR, docking, pharmacophore-based analysis and molecular modeling to analyze their anti-breast cancer potential.

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations.

Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches.

Results for
""Pharmacophore""[mesh_terms]

Ligand-based pharmacophore modeling for the discovery of Na_V1.7 inhibitors.