**2.1 Bioactivities**

Xanalteric acids I (38) and II (39) are the two new compounds which were segregated from the organism *Alternaria sp*., taken from leaves of the Mangrove plant *Sonneratiaceae,* gathered in Dong Zhai Gang Mangrove Garden on Hainan Island, China. Compounds 38 and 39 showed frail anti-microbial action against multidrugresistant *S. aureus* with MIC estimations of 686.81–343.40 μM [34]. *Spicellum roseum* yielded the equivalent *trichothecene* as is delivered by the *Trichothecium roseum*. The compound demonstrated antimicrobial properties against specific yeasts of *Saccharomyces cerevisiae* and *Candida albicans* [35]. The absolute number of lignin from chosen white, soft and brown rot fungi were isolated. These outcomes have uncovered that, most elevated ligninolytic capacity was seen in *P. ostreatus, P. eryngii S. hirsutum* (white rot fungi), *C. puteana H. pinastri* (brown

#### **Figure 1.**

*Compounds 1–6 isolated from the endophytic fungus Microsphaeropsis sp. and 7 obtained by the oxidation of 1 [29].*

**121**

**Figure 3.**

*Natural Medicinal Compounds from Marine Fungi towards Drug Discovery: A Review*

rot fungi) *F. oxysporum and B. dothidea* (soft rot fungi) [36]. The fungi recognized as *Neopestalotiopsis sp.,* active against *D. phaseolorum*. The outcomes feature that the endophytes are equipped for delivering compounds that might be utilized to control plant pathogens. The compound fumiquinone B is accounted for just because as an antifungal operator against *D. phaseolorum*, a significant plant pathogen around the world. This is additionally the first report of the production of fumiquinone B by the *Neopestalotiopsis* [37]. Fungi *M. albus* identified with *Cinnamomum zeylanicum*, recognized five classes of unstable compounds like alcohols, esters ketones, lipids and acids which smothered the action of pathogenic fungi, namely *Pythium ultimum, Phytophthora cinnamomi Rhizoctonia solani, Ustilago hordei, A.fumigates, Stagnosporanodorum, Sclerotinia sclerotiorum, Tapesia yallundae, F. solani, Cercospora beticola, C. albicans and Verticillum dahlia* [38]. The detached metabolite sclerotiorin from *Cephalotheca faveolata* had the capacity to incite apoptosis in malignant

Sclerotiorin had apoptotic properties for colon malignant growth (HCT-116) cells by means of BAX and inactivated the BCL-2 proteins and further degrade the caspase-3 catalyst advancing apoptosis in dangerous cells [39]. Antibacterial action of the detached bioactive parts from endophytic growth *Phomopsis sp.* inside *Plumeria acutifolia* against the bacterial pathogens *E. coli, Klebsilla sp Pseudomonas sp., S. aureus, B. subtilis also, S. typhi* and it had no huge impact on *C. albicans* [40, 41]. *Awajanoran*, another dihydrobenzofuran derivative, was separated from an agar-culture of *Acremonium sp.* AWA16–1, which had been separated from ocean mud gathered at Awajishima Island in Japan. This compound restrained the development of A549 cells, the human lung adenocarcinoma cell line, with an IC50 estimation of 17 μg/ml, and furthermore demonstrated antimicrobial action [42]. R-135853 against different contagious strains and furthermore shows the MICs of R-135853 forthe strains utilized in vivo. R-135853 showed strong activity against *C. albicans, C. tropicalis, C. glabrata, C. neoformans* 

*and C. guilliermondii* with MICs varying from 0.016 to 0.5 g/ml [43].

*Compounds binding geometry of the new inhibitor 5 l in the active site of CYP51 [44].*

A chain of 1-(1H-1,2,4-triazol-1-yl)- 2-(2,4-difluorophenyl)- 3-subbed 2-propanols (5a–5y) which are analogs of fluconazole, have been structured and integrated by means of Cu(I)- catalyzed azide–alkyne cycloaddition based on computational docking investigations to the dynamic site of the cytochrome P450 14α-demethylase

*DOI: http://dx.doi.org/10.5772/intechopen.94137*

growth cells.

**3. Docking studies**

**Figure 2.** *Different types of fungal metabolites [33].*

*Natural Medicinal Compounds from Marine Fungi towards Drug Discovery: A Review DOI: http://dx.doi.org/10.5772/intechopen.94137*

rot fungi) *F. oxysporum and B. dothidea* (soft rot fungi) [36]. The fungi recognized as *Neopestalotiopsis sp.,* active against *D. phaseolorum*. The outcomes feature that the endophytes are equipped for delivering compounds that might be utilized to control plant pathogens. The compound fumiquinone B is accounted for just because as an antifungal operator against *D. phaseolorum*, a significant plant pathogen around the world. This is additionally the first report of the production of fumiquinone B by the *Neopestalotiopsis* [37]. Fungi *M. albus* identified with *Cinnamomum zeylanicum*, recognized five classes of unstable compounds like alcohols, esters ketones, lipids and acids which smothered the action of pathogenic fungi, namely *Pythium ultimum, Phytophthora cinnamomi Rhizoctonia solani, Ustilago hordei, A.fumigates, Stagnosporanodorum, Sclerotinia sclerotiorum, Tapesia yallundae, F. solani, Cercospora beticola, C. albicans and Verticillum dahlia* [38]. The detached metabolite sclerotiorin from *Cephalotheca faveolata* had the capacity to incite apoptosis in malignant growth cells.

Sclerotiorin had apoptotic properties for colon malignant growth (HCT-116) cells by means of BAX and inactivated the BCL-2 proteins and further degrade the caspase-3 catalyst advancing apoptosis in dangerous cells [39]. Antibacterial action of the detached bioactive parts from endophytic growth *Phomopsis sp.* inside *Plumeria acutifolia* against the bacterial pathogens *E. coli, Klebsilla sp Pseudomonas sp., S. aureus, B. subtilis also, S. typhi* and it had no huge impact on *C. albicans* [40, 41]. *Awajanoran*, another dihydrobenzofuran derivative, was separated from an agar-culture of *Acremonium sp.* AWA16–1, which had been separated from ocean mud gathered at Awajishima Island in Japan. This compound restrained the development of A549 cells, the human lung adenocarcinoma cell line, with an IC50 estimation of 17 μg/ml, and furthermore demonstrated antimicrobial action [42]. R-135853 against different contagious strains and furthermore shows the MICs of R-135853 forthe strains utilized in vivo. R-135853 showed strong activity against *C. albicans, C. tropicalis, C. glabrata, C. neoformans and C. guilliermondii* with MICs varying from 0.016 to 0.5 g/ml [43].

## **3. Docking studies**

*Drug Design - Novel Advances in the Omics Field and Applications*

nystatin which was utilized as a positive control [32] (**Figure 2**).

**2.1 Bioactivities**

pinselin, with five known compounds, pinselin,methyl 8-hydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate, 2-methoxy pinselin, aspergillusone A 12-O-acetyl-AGI-B4 [30]. Screening for new bioactive metabolites from the marine-determined variety of *Aspergillus*, an *Aspergillus versicolor DJ013* separated from a coastal, Dongji Island, China. EtOAc separate resulted in identification and isolation of new furandione compounds, named asperfurandiones A and B [31]. Botryosphaerin were detached from the endophytic fungi *Botryosphaeria sp*. MHF associated with Maytenus hookeri. A compound CJ-14445 showed inhibition towards *Saccharomyces cervisiae, Candida albicans* and *Penicillium avellaneum* UC-4376 in correlation with

Xanalteric acids I (38) and II (39) are the two new compounds which were segregated from the organism *Alternaria sp*., taken from leaves of the Mangrove plant *Sonneratiaceae,* gathered in Dong Zhai Gang Mangrove Garden on Hainan Island, China. Compounds 38 and 39 showed frail anti-microbial action against multidrugresistant *S. aureus* with MIC estimations of 686.81–343.40 μM [34]. *Spicellum roseum* yielded the equivalent *trichothecene* as is delivered by the *Trichothecium roseum*. The compound demonstrated antimicrobial properties against specific yeasts of *Saccharomyces cerevisiae* and *Candida albicans* [35]. The absolute number of lignin from chosen white, soft and brown rot fungi were isolated. These outcomes have uncovered that, most elevated ligninolytic capacity was seen in *P. ostreatus, P. eryngii S. hirsutum* (white rot fungi), *C. puteana H. pinastri* (brown

*Compounds 1–6 isolated from the endophytic fungus Microsphaeropsis sp. and 7 obtained by the oxidation of 1 [29].*

**120**

**Figure 2.**

*Different types of fungal metabolites [33].*

**Figure 1.**

A chain of 1-(1H-1,2,4-triazol-1-yl)- 2-(2,4-difluorophenyl)- 3-subbed 2-propanols (5a–5y) which are analogs of fluconazole, have been structured and integrated by means of Cu(I)- catalyzed azide–alkyne cycloaddition based on computational docking investigations to the dynamic site of the cytochrome P450 14α-demethylase

**Figure 3.** *Compounds binding geometry of the new inhibitor 5 l in the active site of CYP51 [44].*

(CYP51). Target compounds were assessed against eight human pathogenic fungi in vitro. Compound 5 l demonstrated the best antifungal activity [44] (**Figure 3**).

Tyrosol, extracted from *P. chrysogenum* DXY-1, a marine fungi utilized as a QS inhibitor against *C. violaceum* and *P. aeruginosa*. The docking results show that tyrosol hinders the QS system of CviR in *C. violaceum* by binding to the DNA-binding domain and blocking the gene expression of pathogens [45] (**Figure 4**).

Three compounds (heptadecanoic acid, 16 methyl-, methyl ester; 9,12-octadecadienoic acid; cis-9-octadecenoic corrosive) identified and were screened against the skin cancer protein (Hsp90) by in-silico docking. The metabolites in two fungal strains of Hypocrea species were analyzed in GC–MS and the compound (Heptadecanoic corrosive, 16 methyl) indicated the best outcome against skin cancer protein [46] (**Figure 5**).

A 3D model of the cytochrome P450 14a-sterol demethylase of *C. albicans* (CA-CYP51) was built on the premise of the sequence homology with structure of the cytochrome P450 14a-sterol demethylases of M. tuberculosis (MT-CYP51). The model of CA-CYP51 was utilized to clarify the antifungal movement of a chain of 1,4-benzothiazine and 1,4-benzoxazine imidazole derivatives. All compounds receive comparable binding modes inside the catalytic site of CA-CYP51. These outcomes will be used to address the structure and synthesis of new strong antifungal compounds supplied with hostile to Candida action [47] (**Figure 6**).

Mannich bases of thiosemicarbazide is tested for anti-fungal activity. Docking of compounds was performed on the pdb structure of Lanosterol 14 α-demethylase (CYP51A1, P45014DM) utilizing Vlife MDS 3.5 as target. All incorporated atoms

**Figure 4.** *Effects of tyrosol on the growth of C. violaceum CV026 and violacein production in C. violaceum [45].*

**123**

**Figure 6.**

*Best docking solution of fluconazole into the catalytic site of CA-CYP51 [47].*

**Figure 5.**

*Natural Medicinal Compounds from Marine Fungi towards Drug Discovery: A Review*

*GC–MS result of potential compound Heptadecanoic acid, 16 methyl derived from Hypocrea lixii TSK8 [46].*

*DOI: http://dx.doi.org/10.5772/intechopen.94137*

*Natural Medicinal Compounds from Marine Fungi towards Drug Discovery: A Review DOI: http://dx.doi.org/10.5772/intechopen.94137*

**Figure 5.** *GC–MS result of potential compound Heptadecanoic acid, 16 methyl derived from Hypocrea lixii TSK8 [46].*

**Figure 6.** *Best docking solution of fluconazole into the catalytic site of CA-CYP51 [47].*

*Drug Design - Novel Advances in the Omics Field and Applications*

cancer protein [46] (**Figure 5**).

(CYP51). Target compounds were assessed against eight human pathogenic fungi in vitro. Compound 5 l demonstrated the best antifungal activity [44] (**Figure 3**). Tyrosol, extracted from *P. chrysogenum* DXY-1, a marine fungi utilized as a QS inhibitor against *C. violaceum* and *P. aeruginosa*. The docking results show that tyrosol hinders the QS system of CviR in *C. violaceum* by binding to the DNA-binding

Three compounds (heptadecanoic acid, 16 methyl-, methyl ester; 9,12-octadecadienoic acid; cis-9-octadecenoic corrosive) identified and were screened against the skin cancer protein (Hsp90) by in-silico docking. The metabolites in two fungal strains of Hypocrea species were analyzed in GC–MS and the compound (Heptadecanoic corrosive, 16 methyl) indicated the best outcome against skin

A 3D model of the cytochrome P450 14a-sterol demethylase of *C. albicans* (CA-CYP51) was built on the premise of the sequence homology with structure of the cytochrome P450 14a-sterol demethylases of M. tuberculosis (MT-CYP51). The model of CA-CYP51 was utilized to clarify the antifungal movement of a chain of 1,4-benzothiazine and 1,4-benzoxazine imidazole derivatives. All compounds receive comparable binding modes inside the catalytic site of CA-CYP51. These outcomes will be used to address the structure and synthesis of new strong antifun-

Mannich bases of thiosemicarbazide is tested for anti-fungal activity. Docking of compounds was performed on the pdb structure of Lanosterol 14 α-demethylase (CYP51A1, P45014DM) utilizing Vlife MDS 3.5 as target. All incorporated atoms

domain and blocking the gene expression of pathogens [45] (**Figure 4**).

gal compounds supplied with hostile to Candida action [47] (**Figure 6**).

*Effects of tyrosol on the growth of C. violaceum CV026 and violacein production in C. violaceum [45].*

**122**

**Figure 4.**

**Figure 7.** *Representative interactions shown by K20 with amino acid residues of CYP51A1, P45014DM [48].*

were docked into a similar binding site. Docking study demonstrated a solid hydrophobicity between amino acids, such as Arganine (ARG141), Glutamine (GLU146), with hydrogen of aldehyde at 2.279. The amino acids included are Glycine GLY176A, Aspartine ASP175A, Threonine THR147B Lysine LYS227A, Phenyl alanine PHE58A and Arganine ARG141B which may be assuming a significant role in the specific binding of compounds with target [48] (**Figure 7**).
