HENGPHASATPORN Kowit
- Affiliation
- Center for Computational Sciences
- Official title
- Assistant Professor
- ORCID
- 0000-0001-8501-3844
- =.2:,7+FUQ&&6O768.8%$O$&O-3L
- Research fields
Bio-related chemistry Biomolecular chemistry Molecular biology Evolutionary biology - Research keywords
Drug discovery and design Molecular Dynamics Simulation - Research projects
FMO/ML-Guided Drug Design: Accelerating Novel Inhibitor Development and Drug Discovery 2024-04 -- 2027-03 Kowit HENGPHASATPORN The Japan Society for the Promotion of Science (JSPS)/Grant-in-Aid for Early-Career Scientists 3,640,000Yen Development of Novel Computational Methods for Ligand-Protein Complex Structure Exploration and Application in Drug Discovery. 2024-04 -- 2025-03 Kowit HENGPHASATPORN Toyota Riken Scholar/ 1,000,000Yen Discovery of the antiviral inhibitors based on an in silico complex structure constructed by PaCS-MD/FMO technique. 2022-04 -- 2025-03 Kowit HENGPHASATPORN Tsukuba Basic Research Support Program (Type S)/ 3,000,000Yen - Career history
2022-04 -- (current) 筑波大学計算科学研究センター助教 2019-09 -- 2022-03 筑波大学計算科学研究センター研究員 - Degree
2019 Doctor of Philosophy (Ph.D.) in Bioinformatics and Computational Biology Chulalongkorn University - Academic societies
2022 -- (current) PROTEIN SCIENCE SOCIETY OF JAPAN 2022 -- (current) THE BIOPHYSICAL SOCIETY OF JAPAN - Articles
- Why is Dimeric 3D Domain Swapping in Antibody Light Chains Missing from the Solution? Atomistic Insights Mechanisms
Duan Lian; Hengphasatporn Kowit; Sakai Takahiro; Fujik...
JOURNAL OF PHYSICAL CHEMISTRY B/Epub, 2024-09-13 - Design, Synthesis, and Biological Evaluation of Darunavir Analogs as HIV-1 Protease Inhibitors
Rehman Muhammad Asad Ur; Chuntakaruk Hathaichanok; Amph...
ACS BIO & MED CHEM AU/Epub, 2024-09-19 - 中分子の膜透過性に対する計算手法の検討
高橋 輝行; Kowit Hengphasatporn; 原田隆平; 重田 育照
Journal of Computer Chemistry, Japan/21(4)/pp.118-122, 2023-03 - Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors
Toopradab Borwornlak; Xie Wanting; Duan Lian; Hengphas...
Bioorganic & medicinal chemistry letters/110, 2024-09-15 - Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation
Ali Saba; Aman Aamir; Hengphasatporn Kowit; Oopkaew L...
COMPUTATIONAL BIOLOGY AND CHEMISTRY/112, 2024-10 - Alpha and gamma mangostins inhibit wild-type B SARS-CoV-2 more effectively than the SARS-CoV-2 variants and the major target is unlikely the 3C-like protease
Suroengrit Aphinya; Cao Van; Wilasluck Patcharin; Deet...
HELIYON/10(11), 2024-06-15 - Unlocking E-arylidene Steroid Derivatives as Promising α-Glucosidase Inhibitors
Danova Ade; Pattanapanyasat Kovit; Shigeta Yasuteru; R...
CHEMISTRYSELECT/9(9), 2024-02 - Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase
Kongkaew Nalinee; Hengphasatporn Kowit; Shigeta Yasute...
JOURNAL OF PHYSICAL CHEMISTRY LETTERS/15(21)/pp.5696-5704, 2024-05-20 - Combining AI-based Modeling and Flexible Docking for Efficient Refinement of Protein-RNA Complexes using PaCS-MD
Hengphasatporn Kowit; Nitchakan Darai; Harada Ryuhei; ...
PROTEIN SCIENCE/32(12), 2023-12 - FMO-guided design of darunavir analogs as HIV-1 protease inhibitors
Chuntakaruk Hathaichanok; Hengphasatporn Kowit; Shigeta...
SCIENTIFIC REPORTS/14(1)/p.3639, 2024-02-13 - Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning
Kongkaew Nalinee; Hengphasatporn Kowit; Injongkol Yuwa...
RSC ADVANCES/13(46)/pp.32266-32275, 2023-10-31 - The 8-bromobaicalein alleviated chikungunya-induced musculoskeletal inflammation and reduced the viral load in healthy adult mice
Cao Van; Loeanurit Naphat; Hengphasatporn Kowit; Haira...
EMERGING MICROBES & INFECTIONS/12(2), 2023-12-08 - Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery
Chuntakaruk Hathaichanok; Boonpalit Kajjana; Kinchagawa...
JOURNAL OF COMPUTATIONAL CHEMISTRY/45(13)/pp.953-968, 2024-01-04 - Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping
Sakai Takahiro; Mashima Tsuyoshi; Kobayashi Naoya; Oga...
NATURE COMMUNICATIONS/14(1)/p.7807, 2023-12-08 - A sulfonamide chalcone inhibited dengue virus with a potential target at the SAM-binding site of viral methyltransferase
Cao Van; Sukanadi I Putu; Loeanurit Naphat; Suroengrit...
ANTIVIRAL RESEARCH/220, 2023-12-01 - Synthesis and biological evaluation of 2'-hydroxychalcone derivatives as AMPK activators
Vu Nguyen Duy; Muanprasat Chatchai; Kaewin Suchada; He...
BIOORGANIC CHEMISTRY/143, 2023-12-21 - Structure-yeast α-glucosidase inhibitory activity relationship of 9-O-berberrubine carboxylates
Nguyen Duy Vu; Hengphasatporn Kowit; Danova Ade; Suroe...
SCIENTIFIC REPORTS/13(1), 2023-11-01 - Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches
Pojtanadithee Piyatida; Hengphasatporn Kowit; Suroengri...
JOURNAL OF CHEMICAL INFORMATION AND MODELING/Epub, 2023-08-15 - A Structural Refinement Technique for Protein-RNA Complexes Based on a Combination of AI-based Modeling and Flexible Docking: A Study of Musashi-1 Protein
Hengphasatporn Kowit; Darai Nitchakan; Wolschann Peter...
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN/96(7)/pp.677-685, 2023-6-23 - A novel flavanone derivative inhibits dengue virus fusion and infectivity
Srivarangkul Pimsiri; Yuttithamnon Wanchalerm; Suroengr...
Antiviral research/151/pp.27-38, 2018-03-01 - Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion
Kanyaboon Parichat; Saelee Thanaphon; Suroengrit Aphin...
Scientific reports/8(1), 2018-11-09 - Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification
Deetanya Peerapon; Hengphasatporn Kowit; Wilasluck Pat...
Computational and structural biotechnology journal/19/pp.3364-3371, 2021-04-01 - Design, synthesis, in vitro, in silico, and SAR studies of flavone analogs towards anti-dengue activity
Patigo Apinya; Hengphasatporn Kowit; Cao Van; Paunrat ...
SCIENTIFIC REPORTS/12(1), 2022-12-14 - Lichen-Derived Diffractaic Acid Inhibited Dengue Virus Replication in a Cell-Based System
Loeanurit Naphat; Tuong Truong Lam; Nguyen Van-Kieu; V...
Molecules (Basel, Switzerland)/28(3), 2023-01-18 - N-Containing alpha-Mangostin Analogs via Smiles Rearrangement as the Promising Cytotoxic, Antitrypanosomal, and SARS-CoV-2 Main Protease Inhibitory Agents
Pyae Nan Yadanar Lin; Maiuthed Arnatchai; Phongsopitanu...
Molecules (Basel, Switzerland)/28(3), 2023-01-22 - more...
- Why is Dimeric 3D Domain Swapping in Antibody Light Chains Missing from the Solution? Atomistic Insights Mechanisms
- Conference, etc.
- Unlocking Antiviral Insights: FMO, Docking, MD Illuminate Halogen Interactions in Drug Design
HENGPHASATPORN Kowit
8th Japan-Thai workshop on Theoretical and Computational Chemistry 2023/2024-01-19--2024-01-20 - Insights into molecular metabolism of herbicide-resistant CYP81As through molecular docking and MM/GBSA analysis
HENGPHASATPORN Kowit
8th Edition of Global Congress on PLANT BIOLOGY AND BIOTECHNOLOGY2024-03-24/2024-03-24--2024-03-27 - Combining Quantum Mechanics and Machine Learning for Accelerated Drug Design Against HIV PR Inhibitors
HENGPHASATPORN Kowit
SCCJ2023/2023-11-24--2023-11-26 - Integrated AI-based Modeling and Flexible Docking for Protein-RNA Complexes Refinement
HENGPHASATPORN Kowit
BSJ61/2023-11-13--2023-11-16 - Finding Potent HIV-1 Protease Inhibitors through FMO-Guided Drug Design
HENGPHASATPORN Kowit
Chem-Bio Informatics Society(CBI) Annual Meeting 2023/2023-10-23--2023-10-25 - Inhibition of Dengue Virus by a Sulfonamide Chalcone Targeting the SAM-Binding Site of Viral Methyltransferase
HENGPHASATPORN Kowit
「硫黄生物学」第3回領域会議/2023-09-16--2023-09-18 - FMO-guided design of darunavir analogs as HIV-1 protease inhibitors
HENGPHASATPORN Kowit
the 5th Congress of the Theory and Applications of Computational Chemistry (TACC2023)/2023-09-05--2023-09-09 - Synergistic Integration of FMO and MM Calculations: A Novel Approach for Unveiling Potent Antiviral Agents
HENGPHASATPORN Kowit
CU-UM Bilateral Seminar and Workshop/2024-02-17--2024-02-19 - ドメインスワッピングにより4量化する抗体軽鎖の会合挙動とX線結晶構造
HENGPHASATPORN Kowit
2回抗体学会/2023-12-01--2023-12-03 - 3D structure construction of cyclic peptide using Deep learning
HENGPHASATPORN Kowit
the 75th annual meeting of the Society for Biotechnology/2023-09-03--2023-09-05 - Exploring Antiviral Drug Discovery through Computational Calculations and Fragment Molecular Orbital (FMO) Method
HENGPHASATPORN Kowit
CCS – LBNL Collaborative Workshop 2023/2023-04 - 分子動力学シミュレーションによるがん原因融合タンパク質SS18-SSXのC末端結合領域とヌクレオソームの相互作用解析
小淵 里恵; 段 炼; Kowit Hengphasatporn; 重田 育照; 谷 一寿; 鈴木 理...
第46回日本分子生物学会年会/2023-12-06--2023-12-08 - SOD1のCYS酸化に伴う構造変化の理論的研究
佐藤 綾香; 藤木 涼; 堀 優太; Hengphasatporn Kowit; 重田 育照
日本コンピュータ化学会2023年/2023-11-24--2023-11-26 - 天然変性タンパク質が滑膜肉腫発生の原因となる仕組み
韓 叡佳; 堀越直樹; 高橋花南; 谷一寿; 宮ノ入洋平; 中本佳歩; 古寺哲幸; Kowit Hengpha...
第96回日本生化学会大会/2023-10-31--2023-11-2 - FMO-Guided Design of Darunavir Analogs as HIV-1 Protease Inhibitors
Hengphasatporn Kowit
the 5th Congress of the Theory and Applications of Computational Chemistry (TACC2023)/2023-09-5--2023-9-9 - Combining AI-based Modeling and Flexible Docking for Efficient Refinement of Protein-RNA Complexes using PaCS-MD
Hengphasatporn Kowit; Nitchakan Darai; Harada Ryuhei; ...
The Protein Society - 37th Annual Symposium/2023-07-13--2023-07-16 - 多分野融合によるアミロイド類縁腎臓疾患のメカニズム解析
HENGPHASATPORN KOWIT
第40回分子病理学研究会クラークシンポジウム/2023-7-14--2023-7-15 - 中分子の膜透過性に対する計算手法の検討
HENGPHASATPORN KOWIT
日本コンピューター化学会 2022年 秋季年会/2022-11-25--2022-11-27 - 光合成水分解酸素発生におけるMnの自然選択の理由
HENGPHASATPORN KOWIT
量子生命科学会第4回大会/2022-05-26--2022-05-27 - Evaluation of brominated baicalein as a promising SARs-CoV-2 Mpro Inhibitor
Hengphasatporn Kowit
物性研短期研究会「理論タンパク質物性科学の最前線:理論と実験との密な協働/2022-07-26--2022-07-27 - Evaluation of the Potent SARS-CoV-2 Main Protease Inhibitors using LB-PaCS-MD/FMO Technique
Hengphasatporn Kowit
The 60th Annual Meeting of the Biophysical Society of Japan/2022-08-28--2022-08-30 - Estimation of acid dissociation constants (pKa) of N-containing heterocycles in DMSO and transferability of Gibbs free energy in various solvent conditions
Hengphasatporn Kowit
The 6th Asian Workshop on Molecular Spectroscopy(AWMS 2022)/2022-11-3--2022-11-4 - Integrated Simulation for Antiviral Drug Discovery and Design
HENGPHASATPORN KOWIT
The 22nd Annual Meeting of the Protein Science Society of Japan/2023-07-07--2023-07-09 - Ligand-Binding Mode Evaluation of Potential SARS-CoV-2 Main Protease Inhibitors: LB-PaCS-MD/FMO method
HENGPHASATPORN KOWIT
The 25th International Annual Symposium on Computational Science and Engineering (ANSCSE)/2022-07-06--2022-07-09 - Exploring Antiviral Drug Discovery through Computational Calculations and Fragment Molecular Orbital (FMO) Method
HENGPHASATPORN KOWIT
CCS – LBNL Collaborative Workshop 2023/2023-04-12--2023-04-13 - more...
- Unlocking Antiviral Insights: FMO, Docking, MD Illuminate Halogen Interactions in Drug Design
- Talks
- Computer-aided drug discovery and design
HENGPHASATPORN Kowit
Collaborative discussion between the Faculty of Pharmacy, University of Alberta, Canada, and University of Tsukuba, Japan./2024-02-21--2024-02-25
- Computer-aided drug discovery and design
(Last updated: 2024-08-29)