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Journal Articles

Pharmacophore-based virtual screening toward the discovery of novel antioxidant compounds from alkaloids in honey products

T. M. Fakih, L. Jamilah, L. Dzulhijjah, D. S. F. Ramadhan, A. Arfan, A. D. Rizkita

AIP Conf. Proc. 3065, 020032 (2024)

https://doi.org/10.1063/5.0224915

Published: September 2024

View article titled, Pharmacophore-based virtual screening toward the discovery of novel antioxidant compounds from alkaloids in honey products

Journal Articles

The basic pharmacophore virtual screening of alternative ligands and NUDT15 enzyme interaction

Rida Tiffarent, Fathia Ramadhani, Syaiful Rizal, Herjuno Ari Nugroho, Nina Herlina, Nova Dilla Yanthi, Sugiyono Saputra

AIP Conf. Proc. 3095, 020013 (2024)

https://doi.org/10.1063/5.0204751

Published: April 2024

View article titled, The basic pharmacophore virtual screening of alternative ligands and NUDT15 enzyme interaction

Journal Articles

Molecular docking and pharmacophore analysis of trisindoline 1 against human topoisomerase II and human derived growth factor

Awik Puji Dyah Nurhayati, Adik Mayang Indiani, Evira Nadila Oktyasti, Mardi Santoso, Edwin Setiawan, Nurul Jadid, Muhamad Amin

AIP Conf. Proc. 3080, 060004 (2024)

https://doi.org/10.1063/5.0200770

Published: March 2024

View article titled, Molecular docking and pharmacophore analysis of trisindoline 1 against human topoisomerase II and human derived growth factor

Journal Articles

Anti-breast cancer activities from the sea fan (Gorgonia mariae): Pharmacophore screening and in-silico molecular docking study

Faruk Jayanto Kelutur

AIP Conf. Proc. 2958, 020002 (2023)

https://doi.org/10.1063/5.0174619

Published: October 2023

View article titled, Anti-breast cancer activities from the sea fan (Gorgonia mariae): Pharmacophore screening and in-silico molecular docking study

Journal Articles

Repurposing anthocyanins into potential inhibitors of the SARS-CoV-2 main protease (M^pro): An in silico approach

Glenn Oyong, Joshua Godwin Cuevas, Bryant Kimm Gonzales, Louiejabe Nuniala, Rene Louis Singson

AIP Conf. Proc. 2562, 070001 (2023)

https://doi.org/10.1063/5.0111196

Published: February 2023

View article titled, Repurposing anthocyanins into potential inhibitors of the SARS-CoV-2 main protease (Mpro): An in silico approach

Journal Articles

Structure-activity modeling for of Staphylococcus aureus FtsZ inhibitors prediction

M. A. Iashnaia, K. L. Obydennov, O. N. Kanwugu, T. A. Kalinina, T. V. Glukhareva

AIP Conf. Proc. 2390, 020022 (2022)

https://doi.org/10.1063/5.0069449

Published: February 2022

View article titled, Structure-activity modeling for of Staphylococcus aureus FtsZ inhibitors prediction

Journal Articles

A green approach for the synthesis of pyridine linked bis-(oxadiazoles)/(thiadiazoles)/(triazoles) and evaluation as antioxidants

G. Anil Kumar, K. Narendra Babu, G. Sravya, Grigory V. Zyryanov, A. Padmaja

AIP Conf. Proc. 2390, 020041 (2022)

https://doi.org/10.1063/5.0069021

Published: February 2022

View article titled, A green approach for the synthesis of pyridine linked bis-(oxadiazoles)/(thiadiazoles)/(triazoles) and evaluation as antioxidants

Journal Articles

Synthesis, characterization and antioxidant activity of heteroaryl activated olefins

S. Jyothi, K. Narendra Babu, G. Sravya, Grigory V. Zyryanov, A. Padmaja

AIP Conf. Proc. 2280, 040020 (2020)

https://doi.org/10.1063/5.0018633

Published: November 2020

View article titled, Synthesis, characterization and antioxidant activity of heteroaryl activated olefins

Journal Articles

Pharmacophore-based virtual screening and molecular docking simulation of flavonoids as smoothened protein inhibitor of Hedgehog signaling pathways

M. A. F. Nasution, F. Stephanie, U. S. F. Tambunan

AIP Conf. Proc. 2168, 020060 (2019)

https://doi.org/10.1063/1.5132487

Published: November 2019

View article titled, Pharmacophore-based virtual screening and molecular docking simulation of flavonoids as smoothened protein inhibitor of Hedgehog signaling pathways

Journal Articles

Pharmacophore based virtual screening, molecular docking and density functional theory approaches to discover the potent beta-amyloid precursor protein (B-APP) inhibitor

G. Shakila, C. Meganathan, N. Sundaraganesan, H. Saleem

AIP Conf. Proc. 2117, 020012 (2019)

https://doi.org/10.1063/1.5114592

Published: June 2019

View article titled, Pharmacophore based virtual screening, molecular docking and density functional theory approaches to discover the potent beta-amyloid precursor protein (B-APP) inhibitor

Journal Articles

3D-QSAR modeling, molecular docking and quantum mechanical approaches to identify pleckstrin homology domain of new AKT1 inhibitors

Rengarajan Kavitha, Chandrasekaran Meganathan

AIP Conf. Proc. 2117, 020015 (2019)

https://doi.org/10.1063/1.5114595

Published: June 2019

View article titled, 3D-QSAR modeling, molecular docking and quantum mechanical approaches to identify pleckstrin homology domain of new AKT1 inhibitors

Journal Articles

Synthesis of 1-phenyl-3-(4’-nitrophenyl)-5-(3’,4’-dimethoxy-6’-nitrophenyl)-2-pyrazoline and its antibacterial activity

Lina Fauzi’ah, Tutik Dwi Wahyuningsih

AIP Conf. Proc. 1823, 020051 (2017)

https://doi.org/10.1063/1.4978124

Published: March 2017

View article titled, Synthesis of 1-phenyl-3-(4’-nitrophenyl)-5-(3’,4’-dimethoxy-6’-nitrophenyl)-2-pyrazoline and its antibacterial activity

Journal Articles

Rational approach to drug design

G. Moreau, P. Broto

AIP Conf. Proc. 330, 717–725 (1995)

https://doi.org/10.1063/1.47782

Published: April 1995

View article titled, Rational approach to drug design

Journal Articles

Similarity of molecular electrostatic potential distributions in a series of HMG‐CoA inhibitors

U. Cosentino, L. Bonati, G. Moro, M. Lasagni, D. Pitea

AIP Conf. Proc. 239, 342–343 (1991)

https://doi.org/10.1063/1.41318

Published: October 1991

View article titled, Similarity of molecular electrostatic potential distributions in a series of HMG‐CoA inhibitors

NARROW

Topics

Pharmacophore-based virtual screening toward the discovery of novel antioxidant compounds from alkaloids in honey products

The basic pharmacophore virtual screening of alternative ligands and NUDT15 enzyme interaction

Molecular docking and pharmacophore analysis of trisindoline 1 against human topoisomerase II and human derived growth factor

Anti-breast cancer activities from the sea fan (Gorgonia mariae): Pharmacophore screening and in-silico molecular docking study

Repurposing anthocyanins into potential inhibitors of the SARS-CoV-2 main protease (M^pro): An in silico approach

Structure-activity modeling for of Staphylococcus aureus FtsZ inhibitors prediction

A green approach for the synthesis of pyridine linked bis-(oxadiazoles)/(thiadiazoles)/(triazoles) and evaluation as antioxidants

Synthesis, characterization and antioxidant activity of heteroaryl activated olefins

Pharmacophore-based virtual screening and molecular docking simulation of flavonoids as smoothened protein inhibitor of Hedgehog signaling pathways

Pharmacophore based virtual screening, molecular docking and density functional theory approaches to discover the potent beta-amyloid precursor protein (B-APP) inhibitor

3D-QSAR modeling, molecular docking and quantum mechanical approaches to identify pleckstrin homology domain of new AKT1 inhibitors

Synthesis of 1-phenyl-3-(4’-nitrophenyl)-5-(3’,4’-dimethoxy-6’-nitrophenyl)-2-pyrazoline and its antibacterial activity

Rational approach to drug design

Similarity of molecular electrostatic potential distributions in a series of HMG‐CoA inhibitors

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