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Journal Articles

In-silico analysis of diosgenin and doxorubicin in the extrinsic apoptotic pathway of BAX protein for cancer

G. Logeswari, I. Praveen Kumar

AIP Conf. Proc. 3252, 020183 (2025)

https://doi.org/10.1063/5.0258685

Published: March 2025

View article titled, In-silico analysis of diosgenin and doxorubicin in the extrinsic apoptotic pathway of BAX protein for cancer

Journal Articles

Synthesis and bio-evaluation of 2-Methyl Indole-3-carboxaldehyde derivatives as potential lanosterol 14-demethylase inhibitors

Alyaa Jabbar, Yasameen K. Al-Majedy

AIP Conf. Proc. 3169, 020003 (2025)

https://doi.org/10.1063/5.0255335

Published: February 2025

View article titled, Synthesis and bio-evaluation of 2-Methyl Indole-3-carboxaldehyde derivatives as potential lanosterol 14-demethylase inhibitors

Journal Articles

Effect of Trisindoline 1 on CD44 and CD123 in cancer stem cell using in-silico method

Putu Indrayuma Kamajaya, Awik Puji Dyah Nurhayati, Edwin Setiawan, Mardi Santoso

AIP Conf. Proc. 3186, 020006 (2025)

https://doi.org/10.1063/5.0237054

Published: January 2025

View article titled, Effect of Trisindoline 1 on CD44 and CD123 in cancer stem cell using in-silico method

Journal Articles

The potential of specific weak mustard bioactive compounds (Nasturtium Montanum wall.) as an antipyretic agent against prostaglandin synthase 2 (PTGS₂) target protein by in silico

Dilla Anisa Ikhtira, Fatchur Rohman, Sri Rahayu Lestari

AIP Conf. Proc. 3186, 020011 (2025)

https://doi.org/10.1063/5.0234715

Published: January 2025

View article titled, The potential of specific weak mustard bioactive compounds (Nasturtium Montanum wall.) as an antipyretic agent against prostaglandin synthase 2 (PTGS2) target protein by in silico

Journal Articles

Anti-Inflammatory potential of cat’s whiskers leaf (Orthosiphon stamineus) through inhibition of NF-kB and INOS proteins: in silico study

Rizqi Zidni Hidayati, Masruri Masruri, Widodo Widodo

AIP Conf. Proc. 3186, 020029 (2025)

https://doi.org/10.1063/5.0249598

Published: January 2025

View article titled, Anti-Inflammatory potential of cat’s whiskers leaf (Orthosiphon stamineus) through inhibition of NF-kB and INOS proteins: in silico study

Journal Articles

Molecular docking anti-melanoma activity of compounds from the alphitonia genus using PLANTS

Hafiz Ramadhan, Dyera Forestryana, Ahmad Nur Hadi

AIP Conf. Proc. 3248, 020018 (2025)

https://doi.org/10.1063/5.0236907

Published: January 2025

View article titled, Molecular docking anti-melanoma activity of compounds from the alphitonia genus using PLANTS

Journal Articles

Comparison of human FTO and mutant R322Q with various ligands for poly malformation syndrome treatment

A. Priyanka, K. Anbarasu

AIP Conf. Proc. 3193, 020074 (2024)

https://doi.org/10.1063/5.0233014

Published: November 2024

View article titled, Comparison of human FTO and mutant R322Q with various ligands for poly malformation syndrome treatment

Journal Articles

In-silico analysis on human FTO and mutant S319F with various ligands for poly malformation syndrome

Priyanka, K. Anbarasu

AIP Conf. Proc. 3193, 020075 (2024)

https://doi.org/10.1063/5.0233015

Published: November 2024

View article titled, In-silico analysis on human FTO and mutant S319F with various ligands for poly malformation syndrome

Journal Articles

Targeting tetraspanin 12 mutant T49M with different ligand libraries using an in-silico approach to identify the novel small molecule for exudative vitreoretinopathy (EVR5)

Thanmai Reddy, Arun John

AIP Conf. Proc. 3193, 020083 (2024)

https://doi.org/10.1063/5.0233041

Published: November 2024

View article titled, Targeting tetraspanin 12 mutant T49M with different ligand libraries using an in-silico approach to identify the novel small molecule for exudative vitreoretinopathy (EVR5)

Journal Articles

PROTAC molecule design against c-FLIP_L protein for the treatment of cancer via comparative molecular docking

A. Ashish, M. Kannan

AIP Conf. Proc. 3193, 020084 (2024)

https://doi.org/10.1063/5.0233206

Published: November 2024

View article titled, PROTAC molecule design against c-FLIPL protein for the treatment of cancer via comparative molecular docking

Journal Articles

Comparative analysis of antifungal properties of Moringa derivatives over commercial antibiotics

M. Gireesh Kumar, Siva Prasad

AIP Conf. Proc. 3193, 020102 (2024)

https://doi.org/10.1063/5.0234053

Published: November 2024

View article titled, Comparative analysis of antifungal properties of Moringa derivatives over commercial antibiotics

Journal Articles

Identification of molecular interaction of antiviral drugs with viral interleukin protein using swissdock software for the treatment of Epstein Barr viral infection

R. Balachander, R. Jayakumar

AIP Conf. Proc. 3193, 020107 (2024)

https://doi.org/10.1063/5.0238074

Published: November 2024

View article titled, Identification of molecular interaction of antiviral drugs with viral interleukin protein using swissdock software for the treatment of Epstein Barr viral infection

Journal Articles

In Silico molecular docking studies on inhibitory activity of selected phytomolecules against Cyclin dependent kinase 8 receptor 5CEI

Gangaprasad Preetha, Aswathi Unnikrishnan, Athira Krishnan, H. Ayyappan

AIP Conf. Proc. 3134, 030001 (2024)

https://doi.org/10.1063/5.0227775

Published: November 2024

View article titled, In Silico molecular docking studies on inhibitory activity of selected phytomolecules against Cyclin dependent kinase 8 receptor 5CEI

Journal Articles

Design molecular modelling and biological studies of thiazolidinone derivatives with their target proteins

Sabnam Parveen, Ritchu Babbar, Vishnu Nayak Badavath

AIP Conf. Proc. 3209, 060015 (2024)

https://doi.org/10.1063/5.0228031

Published: October 2024

View article titled, Design molecular modelling and biological studies of thiazolidinone derivatives with their target proteins

Journal Articles

Synthesis and molecular docking studies of 1,2 disubstituted benzimidazole analogues with 4KFG and 3MDV as target proteins

Swikriti, Ritchu Babbar, Rashmi Arora

AIP Conf. Proc. 3209, 030001 (2024)

https://doi.org/10.1063/5.0228029

Published: October 2024

View article titled, Synthesis and molecular docking studies of 1,2 disubstituted benzimidazole analogues with 4KFG and 3MDV as target proteins

Journal Articles

Exploring the interaction of pyrrolizidine alkaloids in honey with SARS-CoV-2 main protease via in silico approach

Aulia Fikri Hidayat, Taufik Muhammad Fakih, Budi Prabowo Soewondo, Dwi Syah Fitra Ramadhan, Aden Dhana Rizkita

AIP Conf. Proc. 3065, 020007 (2024)

https://doi.org/10.1063/5.0224675

Published: September 2024

View article titled, Exploring the interaction of pyrrolizidine alkaloids in honey with SARS-CoV-2 main protease via in silico approach

Journal Articles

Evaluation of anticancer and anticovid potential of Zn(II)prolinedithiocarbamate complex: Molecular docking simulation

Rizal Irfandi, Indah Raya, Ahyar Ahmad, Ahmad Fudholi, Suriati Eka Putri, Sulistiani Jarre, Dewi Ratih Tirto Sari

AIP Conf. Proc. 2774, 030012 (2024)

https://doi.org/10.1063/5.0164491

Published: August 2024

View article titled, Evaluation of anticancer and anticovid potential of Zn(II)prolinedithiocarbamate complex: Molecular docking simulation

Journal Articles

In-silico drug design on homo sapiens FTO R316Q mutant with specific compounds for poly malformation syndrome

A. Priyanka, K. Anbarasu, V. Thiruchelvam

AIP Conf. Proc. 3161, 020287 (2024)

https://doi.org/10.1063/5.0229326

Published: August 2024

View article titled, In-silico drug design on homo sapiens FTO R316Q mutant with specific compounds for poly malformation syndrome

Journal Articles

Molecular docking of phosphoprotein with antiviral drugs using SwissDock software for rabies viral treatment

M. L. Akshara, R. Jayakumar, V. Thiruchelvam

AIP Conf. Proc. 3161, 020291 (2024)

https://doi.org/10.1063/5.0229329

Published: August 2024

View article titled, Molecular docking of phosphoprotein with antiviral drugs using SwissDock software for rabies viral treatment

Journal Articles

Anti-breast cancer activity of isothiocyanate compounds from eugenol derivatives

Nuryamin Kazal, Lucy Arianie, Muhammad Iqna Supriatna, Warsito Warsito, Elvina Dhiaul Iftitah

AIP Conf. Proc. 3068, 090001 (2024)

https://doi.org/10.1063/5.0201966

Published: August 2024

View article titled, Anti-breast cancer activity of isothiocyanate compounds from eugenol derivatives

NARROW

Topics

In-silico analysis of diosgenin and doxorubicin in the extrinsic apoptotic pathway of BAX protein for cancer

Synthesis and bio-evaluation of 2-Methyl Indole-3-carboxaldehyde derivatives as potential lanosterol 14-demethylase inhibitors

Effect of Trisindoline 1 on CD44 and CD123 in cancer stem cell using in-silico method

The potential of specific weak mustard bioactive compounds (Nasturtium Montanum wall.) as an antipyretic agent against prostaglandin synthase 2 (PTGS₂) target protein by in silico

Anti-Inflammatory potential of cat’s whiskers leaf (Orthosiphon stamineus) through inhibition of NF-kB and INOS proteins: in silico study

Molecular docking anti-melanoma activity of compounds from the alphitonia genus using PLANTS

Comparison of human FTO and mutant R322Q with various ligands for poly malformation syndrome treatment

In-silico analysis on human FTO and mutant S319F with various ligands for poly malformation syndrome

Targeting tetraspanin 12 mutant T49M with different ligand libraries using an in-silico approach to identify the novel small molecule for exudative vitreoretinopathy (EVR5)

PROTAC molecule design against c-FLIP_L protein for the treatment of cancer via comparative molecular docking

Comparative analysis of antifungal properties of Moringa derivatives over commercial antibiotics

Identification of molecular interaction of antiviral drugs with viral interleukin protein using swissdock software for the treatment of Epstein Barr viral infection

In Silico molecular docking studies on inhibitory activity of selected phytomolecules against Cyclin dependent kinase 8 receptor 5CEI

Design molecular modelling and biological studies of thiazolidinone derivatives with their target proteins

Synthesis and molecular docking studies of 1,2 disubstituted benzimidazole analogues with 4KFG and 3MDV as target proteins

Exploring the interaction of pyrrolizidine alkaloids in honey with SARS-CoV-2 main protease via in silico approach

Evaluation of anticancer and anticovid potential of Zn(II)prolinedithiocarbamate complex: Molecular docking simulation

In-silico drug design on homo sapiens FTO R316Q mutant with specific compounds for poly malformation syndrome

Molecular docking of phosphoprotein with antiviral drugs using SwissDock software for rabies viral treatment

Anti-breast cancer activity of isothiocyanate compounds from eugenol derivatives

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