The importance of in-silico studies in drug discovery

QR Code

The importance of in-silico studies in drug discovery

The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. Databases, pharmacophores, homology models, quan...

Full description

Bibliographic Details
Main Authors:	Roney, Miah, Mohd Fadhlizil Fasihi, Mohd Aluwi
Format:	Article
Language:	English
Published:	Elsevier 2024
Subjects:	Q Science (General) RS Pharmacy and materia medica TP Chemical technology
Online Access:	http://umpir.ump.edu.my/id/eprint/40897/ http://umpir.ump.edu.my/id/eprint/40897/1/The%20importance%20of%20in-silico%20studies%20in%20drug%20discovery.pdf

Similar Items

Deciphering the mechanism of usnic acid in type 2 diabetes treatment: A network pharmacology and molecular docking approach
by: Roney, Miah, et al.
Published: (2025)

In silico analysis for discovery of dengue virus inhibitor from natural compounds
by: Roney, Miah, et al.
Published: (2022)

Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation
by: Miah, Roney, et al.
Published: (2023)

Discovery Of New Targeting Agents Against Gapdh Receptor: In Silico And In Vitro Studies
by: Noh, Muhammad Amirul Asyraf
Published: (2023)

AI-Based Drug Design: Revolutionizing Drug Discovery through in Silico Analysis
by: Yamini Priya, Deepthimahanthi, et al.
Published: (2023)

Ligand based drug discovery of novel dengue-2 NS2B-NS3 protease inhibitors
by: Mohd Nawi, Mohamed Sufian, et al.
Published: (2016)

Phytochemical screening expedition 2009 : drug discovery from nature.
by: Mat So'ad, Siti Zaiton, et al.
Published: (2011)

Anti-diabetic activity of phloretin against maltase-glucoamylase using docking, pharmacokinetics and pharmacophore studies
by: Roney, Miah, et al.
Published: (2023)

In vitro and in silico insights into the soybean 15-lipoxygenase inhibition with a new C-geranylated chalcone-based flavanone
by: Segaran, Raaginie Tamil, et al.
Published: (2025)

Ligand Based Drug Discovery Of Novel Dengue-2 NS2B-NS3 Protease Inhibitors
by: Mohd Nawi, Mohamed Sufian
Published: (2015)

Drug-drug interaction-related uncontrolled glycemia
by: Hammad, Mohamed Anwar, et al.
Published: (2017)

Analytical studies of seized drugs for forensic identification
by: Rashid, Abdul Rahman Abdul
Published: (2015)

Needleless Electrospun Nanofibers for Drug Delivery Systems
by: Jolius, Gimbun, et al.
Published: (2022)

Computational studies demonstrating dithymoquinone of Nigella sativa as a potential anti-dengue agent: Short review
by: Roney, Miah, et al.
Published: (2024)

Synthesis, In silico molecular docking modeling and pharmacophore mapping of (E)-3-(4-hydroxy-2,6-dimethoxyphenyl)-1-phenylprop-2-en-1- one as potential new inhibitor of microsomal prostaglandin E synthase-1
by: Sanphetchaloemchok, Pitipat, et al.
Published: (2020)

Microencapsulation of drug into biodegradable polymer as a novel drug delivery system
by: Mohamed, Farahidah, et al.
Published: (2011)

To determine and examine the prospect and feasibility study of anti-cancer drugs for local production in Bangladesh
by: Islam, Mohd Aminul, et al.
Published: (2013)

Drug management system (DMS)
by: Nurul Ain, Muhammad
Published: (2010)

In Silico Study And Synthesis Of Folic Acid-isoniazid Complex As A Potential Antituberculosis Agent
by: Tazizi, Mohammad Hafizie Dianel Mohd
Published: (2024)

Mimosa pudica: a weed with medicinal importance
by: Ahmed, Qamar Uddin, et al.
Published: (2018)

Bio-pharmaceuticals : emerging proniosomes in drug delivery
by: Nanjwade, Basavraj K., et al.
Published: (2011)

Polypyrrole-peg composite film for drug delivery
by: Edueng, Khadijah
Published: (2011)

Boost efforts to make our own drugs
by: Fatmawati, Adam
Published: (2013)

Nose to brain drug delivery: a recent update
by: Chatterjee, Bappaditya
Published: (2017)

Development of natural product from bench to drug formulation
by: Bakhtiar, M. Taher
Published: (2019)

Recent update on nanoemulgel as topical drug delivery system
by: Choudhury, Hira, et al.
Published: (2017)

Extensively drug-resistant tuberculosis in a young child
by: Bhagavathula, Akshaya Srikanth, et al.
Published: (2016)

Effects Of Mitragyna Speciosa Extracts On Drug Metabolizing Enzymes
by: Azizi, Juzaili
Published: (2011)

Effects of Different Formulation Methods on Drug Crystallinity, Drug-Carrier Interaction, and Ex Vivo Permeation of a Ternary Solid Dispersion Containing Nisoldipine
by: Mahmood, Syed, et al.
Published: (2019)

Design and in-silico studies of abacavir analogues as Anti-DENV-2 NS5 methyltransferase
by: Roney, Miah, et al.
Published: (2025)

In-vitro test of gentamicin-nigella sativa microspheres as novel drug delivery system for osteomyelitic treatment
by: Mohd Shafri, Mohd Affendi, et al.
Published: (2016)

Influence of drug: polymer ratio in entrapment of salicylic acid into microsponge
by: Ab. Hadi, Hazrina, et al.
Published: (2016)

Overview on drug utilisation research in developing countries: issues & challenges
by: Abdul Razak, Dzulkifli
Published: (2019)

Design & development of gastroretentive drug delivery system of metformin HCL
by: Senjoti, Faria Gias, et al.
Published: (2014)

Turning weeds into drugs: The prospect of Mimosa pudica for Diabetes mellitus in-vitro
by: Tunna, Tasnuva Sarwar, et al.
Published: (2014)

Potential and future scope of nanoemulgel formulation for topical delivery of lipophilic drugs
by: Sengupta, Pinaki, et al.
Published: (2017)

Microencapsulation of gentamicin into biodegradable polymer as a novel drug delivery system
by: Mohamed, Farahidah, et al.
Published: (2011)

Anti-stress properties of buprenorphine: a better choice for stress-induced relapse to drug addiction
by: Ahmad Bidin, Mohammad Ashraf, et al.
Published: (2015)

Encapsulation of black seed oil in alginate beads as a ph-sensitive carrier for intestine-targeted drug delivery: in vitro, in vivo and ex vivo study
by: Azad, Abul Kalam, et al.
Published: (2020)

Virtual screening of pyrazole derivatives of usnic acid as new class of anti-hyperglycemic agents against PPARγ agonists
by: Roney, Miah, et al.
Published: (2023)