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16 resultsUpdated October 23, 2026
1

Coumarin-based derivatives with potential anti-HIV activity

Fitoterapia 150 (2021)

Zhi Gang Xu; Qingtai Chen; Yan Zhang; Changli Liang

2

Structural, Spectral, Molecular Docking, and Molecular Dynamics Simulations of Phenylthiophene-2-Carboxylate Compounds as Potential Anticancer Agents

Polycyclic aromatic compounds 44(1) (2023)

P. Vennila; Jamelah Saleh Al-Otaibi; G. Venkatesh; Yohannan Sheena Mary; V. Raj; Nivedita Acharjee; P. Tamilselvi

3

Facilitating polymer property prediction with machine learning and group interaction modelling methods

International Journal of Solids and Structures 286-287 (2023)

Elaheh Kazemi-Khasragh; Juan P. Fernandéz‐Blázquez; David Garoz Gómez; Carlos González; Maciej Harańczyk

4

Selective in-vitro Enzymes' Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulations.

PubMed 19(2) (2020)

Şafak Özhan Kocakaya; Abdülselam Ertaş; İsmail Yener; Bahadır Ercan; Elif Varhan Oral; Mehmet Akdeniz; Erhan Kaplaner; Gülaçtı Topçu; Ufuk Kolak

5

Versatile in silico modeling of partition coefficients of organic compounds in polydimethylsiloxane using linear and nonlinear methods

Journal of Hazardous Materials 399 (2020)

Tengyi Zhu; Wenxuan Chen; Rajendra Prasad Singh; Yanran Cui

6

Experimental synthesis, biological evaluation, theoretical investigations of some novel benzoxazolinone based Schiff under eco-environmental conditions as potential antioxidant agents

Journal of Molecular Structure 1270 (2022)

Houria Bentoumi; Sourour Tliba; Hacéne K’tir; Djawhara Chohra; Zineb Aouf; Yasmina Adjeroud; Aïcha Amira; Rachida Zerrouki; Malika Ibrahim‐Ouali; Nour‐Eddine Aouf; Messaoud Liacha

7

Design, Synthesis, Molecular Modeling and Anti-HIV Assay of Novel Quinazolinone Incorporated Coumarin Derivatives

Current HIV Research 18(1) (2019)

Mahdieh Safakish; Zahra Hajimahdi; Mohammad Reza Aghasadeghi; Rouhollah Vahabpour; Afshin Zarghi

8

Design, Synthesis, Docking Studies and Biological Activities Novel 2,3- Diaryl-4-Quinazolinone Derivatives as Anti-HIV-1 Agents

Current HIV Research 17(3) (2019)

Zahra Hajimahdi; Rezvan Zabihollahi; Mohammad Reza Aghasadeghi; Afshin Zarghi

9

Design, Synthesis, Molecular Modeling Study and Biological Evaluation of New N'-Arylidene-pyrido [2,3-d]pyrimidine-5-carbohydrazide Derivatives as Anti-HIV-1 Agents.

PubMed 18(Suppl1) (2019)

Elnaz Ebrahimzadeh; Sayyed Abbas Tabatabai; Rouhollah Vahabpour; Zahra Hajimahdi; Afshin Zarghi

10

QSAR Study on Diacylgycerol Acyltransferase-1 (DGAT-1) Inhibitor as Anti-diabetic using PSO-SVM Methods

Jurnal RESTI (Rekayasa Sistem dan Teknologi Informasi) 6(5) (2022)

I Kadek Andrean Pramana Putra Pramana; Reza Rendian Septiawan; Isman Kurniawan

11

New Schiff Base Derivatives: Preparation, Antioxidant Activity, and DFT Investigation of Structural Properties

Russian Journal of General Chemistry 93(7) (2023)

Yasmina Adjeroud; Amel Bouzitouna; Boulanouar Bakchiche; Abdelmalek Khorief Nacereddine; Hacene Bendjeffal; Messaoud Liacha

12

In silico prediction of polyethylene-aqueous and air partition coefficients of organic contaminants using linear and nonlinear approaches

Journal of Environmental Management 289 (2021)

Tengyi Zhu; Zaizhi Cao; Rajendra Prasad Singh; Haomiao Cheng; Ming Chen

14

The SYNTHESIS, SCREENING OF NOVEL 1-SUBSTITUTED-3-(4-OXO-2-PHENYLQUINAZOLIN-3(4H)-YL) UREA AND THIOUREA ANALOGUES AS POTENT ANTIBACTERIALS

International Journal of Pharmacy and Pharmaceutical Sciences (2019)

Dhokale Sandhya; Snehal Thakar; Deepali Amol Bansode; Kakasaheb Ramoo Mahadik

15

Role of Computational Modelling in Drug Discovery for HIV

Challenges and advances in computational chemistry and physics (2023)

Anish Gomatam; Afreen A. Khan; Kavita Raikuvar; M. D'Costa; Evans C. Coutinho

16

Mechanism-based targeting of lactate dehydrogenase tetramerization by naturally derived compounds: A survey of molecular docking, molecular dynamics, and QSAR analysis

Computers in Biology and Medicine 197(Pt B) (2025)

Shiva Farmani; Najme Dehghanbanadaki; Mahan Balooei; Havva Mehralitabar; Hanieh Sabaghian; Hossein Naderi‐Manesh